Mrv1572004221603582D          

 28 26  0  0  0  0            999 V2000
   -7.4887   -0.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3718   -0.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0389   -1.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.3526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7742    0.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6573   -0.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8639   -1.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1639    1.3526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0598   -0.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9428   -0.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2764   -0.7909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7514    0.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3453    0.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6308   -0.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9164    0.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2019   -0.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4874    0.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7729   -0.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0585    0.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3440   -0.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3705    0.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0849   -0.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2284   -0.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1014   -0.7909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9264    0.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7994    0.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5139   -0.0764    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    7.7289    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 25 12  1  0  0  0  0
 26 22  1  0  0  0  0
 27 23  1  0  0  0  0
 27 24  1  0  0  0  0
 27 25  1  0  0  0  0
 27 26  1  0  0  0  0
M  CHG  2  27   1  28  -1
M  END
> <DATABASE_ID>
CHEM015210

> <DATABASE_NAME>
chemdb

> <SMILES>
[Cl-].CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC

> <INCHI_IDENTIFIER>
InChI=1S/C26H56P.ClH/c1-5-9-13-14-15-16-17-18-19-20-21-22-26-27(23-10-6-2,24-11-7-3)25-12-8-4;/h5-26H2,1-4H3;1H/q+1;/p-1

> <INCHI_KEY>
AKUNSPZHHSNFFX-UHFFFAOYSA-M

> <FORMULA>
C26H56ClP

> <MOLECULAR_WEIGHT>
435.16

> <EXACT_MASS>
434.3808165

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
84

> <JCHEM_AVERAGE_POLARIZABILITY>
55.90052729429781

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tributyl(tetradecyl)phosphanium chloride

> <ALOGPS_LOGP>
8.17

> <JCHEM_LOGP>
10.01786610066667

> <ALOGPS_LOGS>
-8.12

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
129.09759999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
22

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.34e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tributyl(tetradecyl)phosphanium chloride

> <JCHEM_VEBER_RULE>
0

> <NAME>
Tributyl(tetradecyl)phosphanium; chloride

> <CAS>
81741-28-8

> <SYNONYMS>
tributyl(tetradecyl)phosphanium chloride; Tributyltetradecylphosphonium chloride

$$$$