trichloro(3-chloropropyl)silane;trichloro(octyl)silane

C11H23Cl7Si2 — CID 87989801

IUPACtrichloro(3-chloropropyl)silane;trichloro(octyl)silane
SMILESCCCCCCCC[Si](Cl)(Cl)Cl.ClCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C8H17Cl3Si.C3H6Cl4Si/c1-2-3-4-5-6-7-8-12(9,10)11;4-2-1-3-8(5,6)7/h2-8H2,1H3;1-3H2
InChIKeyPINLJZQEBCOHQG-UHFFFAOYSA-N
MW459.65 g/mol
LogP8.27
Rot. Bonds10

About trichloro(3-chloropropyl)silane;trichloro(octyl)silane

trichloro(3-chloropropyl)silane;trichloro(octyl)silane (PubChem CID 87989801) has the molecular formula C11H23Cl7Si2 and a molecular weight of 459.65 g/mol. Its IUPAC name is trichloro(3-chloropropyl)silane;trichloro(octyl)silane.

Molecular Properties

Compound Nametrichloro(3-chloropropyl)silane;trichloro(octyl)silane
PubChem CID87989801
Molecular FormulaC11H23Cl7Si2
Molecular Weight459.65 g/mol
Exact Mass455.92
IUPAC Nametrichloro(3-chloropropyl)silane;trichloro(octyl)silane
SMILESCCCCCCCC[Si](Cl)(Cl)Cl.ClCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C8H17Cl3Si.C3H6Cl4Si/c1-2-3-4-5-6-7-8-12(9,10)11;4-2-1-3-8(5,6)7/h2-8H2,1H3;1-3H2
InChIKeyPINLJZQEBCOHQG-UHFFFAOYSA-N
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.65
LogP ≤ 58.27
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

trichloro(octyl)silane
CID 21354
chlorosilane;trichloro(tetradecyl)silane
CID 159383155
trichloro(30-chlorotriacontyl)silane
CID 87686341
ethoxysilane;trichloro(octadecyl)silane
CID 158053635
trichloro(octadecyl)silane;trimethoxy(octadecyl)silane
CID 174467705
trichloro(18-octadecylsilyloctadecyl)silane
CID 172795504
trichloro(octadecyl)silane;trimethoxy(methyl)silane
CID 174224724
1-chlorononane
CID 17185
1-chloropentadecane
CID 20996
1-chloropentane;tetracosane
CID 174427484
1-chloropentane;octacosane
CID 174937871
1-chloropentane;pentadecane
CID 174295582

Frequently Asked Questions

What is the IUPAC name of trichloro(3-chloropropyl)silane;trichloro(octyl)silane?
The IUPAC name of trichloro(3-chloropropyl)silane;trichloro(octyl)silane (CID 87989801) is trichloro(3-chloropropyl)silane;trichloro(octyl)silane.
What is the SMILES notation for trichloro(3-chloropropyl)silane;trichloro(octyl)silane?
The canonical SMILES for trichloro(3-chloropropyl)silane;trichloro(octyl)silane is CCCCCCCC[Si](Cl)(Cl)Cl.ClCCC[Si](Cl)(Cl)Cl.
What is the InChIKey of trichloro(3-chloropropyl)silane;trichloro(octyl)silane?
The InChIKey is PINLJZQEBCOHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17Cl3Si.C3H6Cl4Si/c1-2-3-4-5-6-7-8-12(9,10)11;4-2-1-3-8(5,6)7/h2-8H2,1H3;1-3H2.
What are the key properties of trichloro(3-chloropropyl)silane;trichloro(octyl)silane?
trichloro(3-chloropropyl)silane;trichloro(octyl)silane has a molecular weight of 459.65 g/mol, XLogP of 8.27, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro(3-chloropropyl)silane;trichloro(octyl)silane is sourced from PubChem (CID 87989801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).