(2Z)-2-[(4-methoxyphenyl)methylidene]-5-trimethylsilylcyclohexan-1-one

C17H24O2Si — CID 68642876

IUPAC(2Z)-2-[(4-methoxyphenyl)methylidene]-5-trimethylsilylcyclohexan-1-one
SMILESCOc1ccc(/C=C2/CCC([Si](C)(C)C)CC2=O)cc1
InChIInChI=1S/C17H24O2Si/c1-19-15-8-5-13(6-9-15)11-14-7-10-16(12-17(14)18)20(2,3)4/h5-6,8-9,11,16H,7,10,12H2,1-4H3/b14-11-
InChIKeyVTNILBCVJKRNCL-KAMYIIQDSA-N
MW288.46 g/mol
LogP4.54
Rot. Bonds3

About (2Z)-2-[(4-methoxyphenyl)methylidene]-5-trimethylsilylcyclohexan-1-one

(2Z)-2-[(4-methoxyphenyl)methylidene]-5-trimethylsilylcyclohexan-1-one (PubChem CID 68642876) has the molecular formula C17H24O2Si and a molecular weight of 288.46 g/mol. Its IUPAC name is (2Z)-2-[(4-methoxyphenyl)methylidene]-5-trimethylsilylcyclohexan-1-one.

Molecular Properties

Compound Name(2Z)-2-[(4-methoxyphenyl)methylidene]-5-trimethylsilylcyclohexan-1-one
PubChem CID68642876
Molecular FormulaC17H24O2Si
Molecular Weight288.46 g/mol
Exact Mass288.15
IUPAC Name(2Z)-2-[(4-methoxyphenyl)methylidene]-5-trimethylsilylcyclohexan-1-one
SMILESCOc1ccc(/C=C2/CCC([Si](C)(C)C)CC2=O)cc1
InChIInChI=1S/C17H24O2Si/c1-19-15-8-5-13(6-9-15)11-14-7-10-16(12-17(14)18)20(2,3)4/h5-6,8-9,11,16H,7,10,12H2,1-4H3/b14-11-
InChIKeyVTNILBCVJKRNCL-KAMYIIQDSA-N
XLogP4.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-methoxyphenyl)methylidene]-5-trimethylsilylcyclohexan-1-one?
The IUPAC name of (2Z)-2-[(4-methoxyphenyl)methylidene]-5-trimethylsilylcyclohexan-1-one (CID 68642876) is (2Z)-2-[(4-methoxyphenyl)methylidene]-5-trimethylsilylcyclohexan-1-one.
What is the SMILES notation for (2Z)-2-[(4-methoxyphenyl)methylidene]-5-trimethylsilylcyclohexan-1-one?
The canonical SMILES for (2Z)-2-[(4-methoxyphenyl)methylidene]-5-trimethylsilylcyclohexan-1-one is COc1ccc(/C=C2/CCC([Si](C)(C)C)CC2=O)cc1.
What is the InChIKey of (2Z)-2-[(4-methoxyphenyl)methylidene]-5-trimethylsilylcyclohexan-1-one?
The InChIKey is VTNILBCVJKRNCL-KAMYIIQDSA-N. The full InChI is InChI=1S/C17H24O2Si/c1-19-15-8-5-13(6-9-15)11-14-7-10-16(12-17(14)18)20(2,3)4/h5-6,8-9,11,16H,7,10,12H2,1-4H3/b14-11-.
What are the key properties of (2Z)-2-[(4-methoxyphenyl)methylidene]-5-trimethylsilylcyclohexan-1-one?
(2Z)-2-[(4-methoxyphenyl)methylidene]-5-trimethylsilylcyclohexan-1-one has a molecular weight of 288.46 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-methoxyphenyl)methylidene]-5-trimethylsilylcyclohexan-1-one is sourced from PubChem (CID 68642876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).