chloro(dihexyl)silane

C12H27ClSi — CID 123411133

IUPACchloro(dihexyl)silane
SMILESCCCCCC[SiH](Cl)CCCCCC
InChIInChI=1S/C12H27ClSi/c1-3-5-7-9-11-14(13)12-10-8-6-4-2/h14H,3-12H2,1-2H3
InChIKeyKRUHDZKHVPRJPI-UHFFFAOYSA-N
MW234.89 g/mol
LogP5.11
Rot. Bonds10

About chloro(dihexyl)silane

chloro(dihexyl)silane (PubChem CID 123411133) has the molecular formula C12H27ClSi and a molecular weight of 234.89 g/mol. Its IUPAC name is chloro(dihexyl)silane.

Molecular Properties

Compound Namechloro(dihexyl)silane
PubChem CID123411133
Molecular FormulaC12H27ClSi
Molecular Weight234.89 g/mol
Exact Mass234.16
IUPAC Namechloro(dihexyl)silane
SMILESCCCCCC[SiH](Cl)CCCCCC
InChIInChI=1S/C12H27ClSi/c1-3-5-7-9-11-14(13)12-10-8-6-4-2/h14H,3-12H2,1-2H3
InChIKeyKRUHDZKHVPRJPI-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.89
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

heptadecyl(dioctyl)silane
CID 173389450
decane;trichlorosilane;hydrofluoride
CID 174927652
hydron;trihexylsilane
CID 175247078
butyl-di(nonyl)silane
CID 174773592
dibutyl(hexyl)silane
CID 123774823
methyl-di(tetradecyl)silane
CID 175036176
didecyl(methyl)silane
CID 71366123
dimethyl(nonyl)silane
CID 71400453
dohexacontane
CID 522644
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036

Frequently Asked Questions

What is the IUPAC name of chloro(dihexyl)silane?
The IUPAC name of chloro(dihexyl)silane (CID 123411133) is chloro(dihexyl)silane.
What is the SMILES notation for chloro(dihexyl)silane?
The canonical SMILES for chloro(dihexyl)silane is CCCCCC[SiH](Cl)CCCCCC.
What is the InChIKey of chloro(dihexyl)silane?
The InChIKey is KRUHDZKHVPRJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27ClSi/c1-3-5-7-9-11-14(13)12-10-8-6-4-2/h14H,3-12H2,1-2H3.
What are the key properties of chloro(dihexyl)silane?
chloro(dihexyl)silane has a molecular weight of 234.89 g/mol, XLogP of 5.11, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(dihexyl)silane is sourced from PubChem (CID 123411133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).