chloro(12,12,12-trichlorododecyl)silane

C12H24Cl4Si — CID 151651897

IUPACchloro(12,12,12-trichlorododecyl)silane
SMILESCl[SiH2]CCCCCCCCCCCC(Cl)(Cl)Cl
InChIInChI=1S/C12H24Cl4Si/c13-12(14,15)10-8-6-4-2-1-3-5-7-9-11-17-16/h1-11,17H2
InChIKeyQURMGOQFDFMGGD-UHFFFAOYSA-N
MW338.22 g/mol
LogP6.00
Rot. Bonds11

About chloro(12,12,12-trichlorododecyl)silane

chloro(12,12,12-trichlorododecyl)silane (PubChem CID 151651897) has the molecular formula C12H24Cl4Si and a molecular weight of 338.22 g/mol. Its IUPAC name is chloro(12,12,12-trichlorododecyl)silane.

Molecular Properties

Compound Namechloro(12,12,12-trichlorododecyl)silane
PubChem CID151651897
Molecular FormulaC12H24Cl4Si
Molecular Weight338.22 g/mol
Exact Mass336.04
IUPAC Namechloro(12,12,12-trichlorododecyl)silane
SMILESCl[SiH2]CCCCCCCCCCCC(Cl)(Cl)Cl
InChIInChI=1S/C12H24Cl4Si/c13-12(14,15)10-8-6-4-2-1-3-5-7-9-11-17-16/h1-11,17H2
InChIKeyQURMGOQFDFMGGD-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.22
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

fluoro(12,12,12-trichlorododecyl)silane
CID 173018377
1,1,1,12-tetrachlorododecane
CID 169446882
1,1,1,21-tetrachlorohenicosane
CID 121232970
8,8,8-trichlorooctyl-λ2-stannane
CID 173499817
1,1,1-trichlorononane
CID 6420387
5,5,5-trichloropentylphosphane
CID 152727751
5,5,5-trichloropentan-1-amine
CID 23423634
1,1,1-trichlorooctacos-11-ene
CID 151485683
1,1,1,21,21,21-hexachloro-11-methylhenicosane
CID 150612565
chloro(2-chloroethyl)silane;6-chlorohexan-1-ol
CID 173448077
16,16,16-trichlorohexadecanoic acid
CID 57105888
N,N,1,17,17,17-hexachloroheptadecan-1-amine
CID 174427803

Frequently Asked Questions

What is the IUPAC name of chloro(12,12,12-trichlorododecyl)silane?
The IUPAC name of chloro(12,12,12-trichlorododecyl)silane (CID 151651897) is chloro(12,12,12-trichlorododecyl)silane.
What is the SMILES notation for chloro(12,12,12-trichlorododecyl)silane?
The canonical SMILES for chloro(12,12,12-trichlorododecyl)silane is Cl[SiH2]CCCCCCCCCCCC(Cl)(Cl)Cl.
What is the InChIKey of chloro(12,12,12-trichlorododecyl)silane?
The InChIKey is QURMGOQFDFMGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24Cl4Si/c13-12(14,15)10-8-6-4-2-1-3-5-7-9-11-17-16/h1-11,17H2.
What are the key properties of chloro(12,12,12-trichlorododecyl)silane?
chloro(12,12,12-trichlorododecyl)silane has a molecular weight of 338.22 g/mol, XLogP of 6.00, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(12,12,12-trichlorododecyl)silane is sourced from PubChem (CID 151651897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).