chloroethene;dioctyltin

C18H37ClSn — CID 158196482

IUPACchloroethene;dioctyltin
SMILESC=CCl.CCCCCCCC[Sn]CCCCCCCC
InChIInChI=1S/2C8H17.C2H3Cl.Sn/c2*1-3-5-7-8-6-4-2;1-2-3;/h2*1,3-8H2,2H3;2H,1H2;
InChIKeyGAJYJNMLVORKMA-UHFFFAOYSA-N
MW407.66 g/mol
LogP7.62
Rot. Bonds14

About chloroethene;dioctyltin

chloroethene;dioctyltin (PubChem CID 158196482) has the molecular formula C18H37ClSn and a molecular weight of 407.66 g/mol. Its IUPAC name is chloroethene;dioctyltin.

Molecular Properties

Compound Namechloroethene;dioctyltin
PubChem CID158196482
Molecular FormulaC18H37ClSn
Molecular Weight407.66 g/mol
Exact Mass408.16
IUPAC Namechloroethene;dioctyltin
SMILESC=CCl.CCCCCCCC[Sn]CCCCCCCC
InChIInChI=1S/2C8H17.C2H3Cl.Sn/c2*1-3-5-7-8-6-4-2;1-2-3;/h2*1,3-8H2,2H3;2H,1H2;
InChIKeyGAJYJNMLVORKMA-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.66
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

didodecyltin;dihydrate
CID 87238842
boric acid;di(nonyl)tin
CID 174438027
dibutyltin
CID 6484
didodecyltin;1-octadecoxyoctadecane
CID 160837697
aminomethyl(hexyl)tin
CID 174792659
dibutyltin;λ2-stannane
CID 174939385
dibutyltin;methane
CID 158142869
dibutyltin;silane
CID 163880557
Octyloxostannane
CID 6335876
chloro(octyl)tin
CID 15041631
ethane;prop-1-ene;undecane
CID 171541850
ethenol;heptadecane
CID 158851930

Frequently Asked Questions

What is the IUPAC name of chloroethene;dioctyltin?
The IUPAC name of chloroethene;dioctyltin (CID 158196482) is chloroethene;dioctyltin.
What is the SMILES notation for chloroethene;dioctyltin?
The canonical SMILES for chloroethene;dioctyltin is C=CCl.CCCCCCCC[Sn]CCCCCCCC.
What is the InChIKey of chloroethene;dioctyltin?
The InChIKey is GAJYJNMLVORKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H17.C2H3Cl.Sn/c2*1-3-5-7-8-6-4-2;1-2-3;/h2*1,3-8H2,2H3;2H,1H2;.
What are the key properties of chloroethene;dioctyltin?
chloroethene;dioctyltin has a molecular weight of 407.66 g/mol, XLogP of 7.62, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethene;dioctyltin is sourced from PubChem (CID 158196482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).