trichloro-[1-(4-methylcyclohex-3-en-1-yl)propyl]silane

C10H17Cl3Si — CID 22401824

IUPACtrichloro-[1-(4-methylcyclohex-3-en-1-yl)propyl]silane
SMILESCCC(C1CC=C(C)CC1)[Si](Cl)(Cl)Cl
InChIInChI=1S/C10H17Cl3Si/c1-3-10(14(11,12)13)9-6-4-8(2)5-7-9/h4,9-10H,3,5-7H2,1-2H3
InChIKeyOCWPSSLNQGIHRH-UHFFFAOYSA-N
MW271.69 g/mol
LogP5.17
Rot. Bonds3

About trichloro-[1-(4-methylcyclohex-3-en-1-yl)propyl]silane

trichloro-[1-(4-methylcyclohex-3-en-1-yl)propyl]silane (PubChem CID 22401824) has the molecular formula C10H17Cl3Si and a molecular weight of 271.69 g/mol. Its IUPAC name is trichloro-[1-(4-methylcyclohex-3-en-1-yl)propyl]silane.

Molecular Properties

Compound Nametrichloro-[1-(4-methylcyclohex-3-en-1-yl)propyl]silane
PubChem CID22401824
Molecular FormulaC10H17Cl3Si
Molecular Weight271.69 g/mol
Exact Mass270.02
IUPAC Nametrichloro-[1-(4-methylcyclohex-3-en-1-yl)propyl]silane
SMILESCCC(C1CC=C(C)CC1)[Si](Cl)(Cl)Cl
InChIInChI=1S/C10H17Cl3Si/c1-3-10(14(11,12)13)9-6-4-8(2)5-7-9/h4,9-10H,3,5-7H2,1-2H3
InChIKeyOCWPSSLNQGIHRH-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.69
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trichloro-[1-(4-methylcyclohex-3-en-1-yl)propyl]silane?
The IUPAC name of trichloro-[1-(4-methylcyclohex-3-en-1-yl)propyl]silane (CID 22401824) is trichloro-[1-(4-methylcyclohex-3-en-1-yl)propyl]silane.
What is the SMILES notation for trichloro-[1-(4-methylcyclohex-3-en-1-yl)propyl]silane?
The canonical SMILES for trichloro-[1-(4-methylcyclohex-3-en-1-yl)propyl]silane is CCC(C1CC=C(C)CC1)[Si](Cl)(Cl)Cl.
What is the InChIKey of trichloro-[1-(4-methylcyclohex-3-en-1-yl)propyl]silane?
The InChIKey is OCWPSSLNQGIHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl3Si/c1-3-10(14(11,12)13)9-6-4-8(2)5-7-9/h4,9-10H,3,5-7H2,1-2H3.
What are the key properties of trichloro-[1-(4-methylcyclohex-3-en-1-yl)propyl]silane?
trichloro-[1-(4-methylcyclohex-3-en-1-yl)propyl]silane has a molecular weight of 271.69 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[1-(4-methylcyclohex-3-en-1-yl)propyl]silane is sourced from PubChem (CID 22401824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).