2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclohexan-1-one

C18H26OSi — CID 102369111

IUPAC2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclohexan-1-one
SMILESCc1ccc(C2C(=O)CCCC2/C=C/[Si](C)(C)C)cc1
InChIInChI=1S/C18H26OSi/c1-14-8-10-16(11-9-14)18-15(6-5-7-17(18)19)12-13-20(2,3)4/h8-13,15,18H,5-7H2,1-4H3/b13-12+
InChIKeyWAWZIFSZXRQVNA-OUKQBFOZSA-N
MW286.49 g/mol
LogP4.88
Rot. Bonds3

About 2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclohexan-1-one

2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclohexan-1-one (PubChem CID 102369111) has the molecular formula C18H26OSi and a molecular weight of 286.49 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclohexan-1-one
PubChem CID102369111
Molecular FormulaC18H26OSi
Molecular Weight286.49 g/mol
Exact Mass286.18
IUPAC Name2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclohexan-1-one
SMILESCc1ccc(C2C(=O)CCCC2/C=C/[Si](C)(C)C)cc1
InChIInChI=1S/C18H26OSi/c1-14-8-10-16(11-9-14)18-15(6-5-7-17(18)19)12-13-20(2,3)4/h8-13,15,18H,5-7H2,1-4H3/b13-12+
InChIKeyWAWZIFSZXRQVNA-OUKQBFOZSA-N
XLogP4.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclohexan-1-one?
The IUPAC name of 2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclohexan-1-one (CID 102369111) is 2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclohexan-1-one.
What is the SMILES notation for 2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclohexan-1-one?
The canonical SMILES for 2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclohexan-1-one is Cc1ccc(C2C(=O)CCCC2/C=C/[Si](C)(C)C)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclohexan-1-one?
The InChIKey is WAWZIFSZXRQVNA-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H26OSi/c1-14-8-10-16(11-9-14)18-15(6-5-7-17(18)19)12-13-20(2,3)4/h8-13,15,18H,5-7H2,1-4H3/b13-12+.
What are the key properties of 2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclohexan-1-one?
2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclohexan-1-one has a molecular weight of 286.49 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclohexan-1-one is sourced from PubChem (CID 102369111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).