Mrv0541 02241204342D          

 19 18  0  0  0  0            999 V2000
    8.3969    3.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0750    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8210    3.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4991    4.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2451    4.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9232    4.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6692    4.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3473    4.6392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0933    4.2868    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
   13.7409    3.5409    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.4457    5.0328    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.8392    3.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5174    4.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2633    4.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9415    4.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6875    4.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3656    4.6392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1116    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7897    4.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1255

> <DATABASE_NAME>
t3db

> <SMILES>
CCCCCCCC[Sn](Cl)(Cl)CCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/2C8H17.2ClH.Sn/c2*1-3-5-7-8-6-4-2;;;/h2*1,3-8H2,2H3;2*1H;/q;;;;+2/p-2

> <INCHI_KEY>
SBOSGIJGEHWBKV-UHFFFAOYSA-L

> <FORMULA>
C16H34Cl2Sn

> <MOLECULAR_WEIGHT>
416.06

> <EXACT_MASS>
416.105953073

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
40.63828771232762

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
dichlorodioctylstannane

> <ALOGPS_LOGP>
8.40

> <JCHEM_LOGP>
5.136800000000001

> <ALOGPS_LOGS>
-6.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
88.55319999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.99e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
di-n-octyltin dichloride

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1255

> <NAME>
Di-n-octyltin dichloride

> <CAS>
3542-36-7

> <SYNONYMS>
Di-N-octyltin dichloride; Di-n-octyltindichloride; Dichloro(dioctyl)stannane; Dichlorodioctylstannane; Dichlorodioctyltin; Dioctylstannium dichloride; Dioctyltin dichloride

> <TYPES>
Organic Compound; Tin Compound; Organometallic; Industrial/Workplace Toxin; Synthetic Compound

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