[2-(chloromethyl)-3-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane

C16H23ClSi — CID 11033214

IUPAC[2-(chloromethyl)-3-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane
SMILESCC1=C(CCl)C([Si](C)(C)c2ccccc2)CCC1
InChIInChI=1S/C16H23ClSi/c1-13-8-7-11-16(15(13)12-17)18(2,3)14-9-5-4-6-10-14/h4-6,9-10,16H,7-8,11-12H2,1-3H3
InChIKeyQCYIKIGIDPHYDG-UHFFFAOYSA-N
MW278.90 g/mol
LogP4.71
Rot. Bonds3

About [2-(chloromethyl)-3-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane

[2-(chloromethyl)-3-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane (PubChem CID 11033214) has the molecular formula C16H23ClSi and a molecular weight of 278.90 g/mol. Its IUPAC name is [2-(chloromethyl)-3-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[2-(chloromethyl)-3-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane
PubChem CID11033214
Molecular FormulaC16H23ClSi
Molecular Weight278.90 g/mol
Exact Mass278.13
IUPAC Name[2-(chloromethyl)-3-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane
SMILESCC1=C(CCl)C([Si](C)(C)c2ccccc2)CCC1
InChIInChI=1S/C16H23ClSi/c1-13-8-7-11-16(15(13)12-17)18(2,3)14-9-5-4-6-10-14/h4-6,9-10,16H,7-8,11-12H2,1-3H3
InChIKeyQCYIKIGIDPHYDG-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.90
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-3-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane?
The IUPAC name of [2-(chloromethyl)-3-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane (CID 11033214) is [2-(chloromethyl)-3-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane.
What is the SMILES notation for [2-(chloromethyl)-3-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane?
The canonical SMILES for [2-(chloromethyl)-3-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane is CC1=C(CCl)C([Si](C)(C)c2ccccc2)CCC1.
What is the InChIKey of [2-(chloromethyl)-3-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane?
The InChIKey is QCYIKIGIDPHYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClSi/c1-13-8-7-11-16(15(13)12-17)18(2,3)14-9-5-4-6-10-14/h4-6,9-10,16H,7-8,11-12H2,1-3H3.
What are the key properties of [2-(chloromethyl)-3-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane?
[2-(chloromethyl)-3-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane has a molecular weight of 278.90 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-3-methylcyclohex-2-en-1-yl]-dimethyl-phenylsilane is sourced from PubChem (CID 11033214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).