(3Z)-3-[(2R)-2-[dimethyl(phenyl)silyl]-2-phenylethylidene]cyclohexan-1-one

C22H26OSi — CID 135063035

IUPAC(3Z)-3-[(2R)-2-[dimethyl(phenyl)silyl]-2-phenylethylidene]cyclohexan-1-one
SMILESC[Si](C)(c1ccccc1)[C@H](/C=C1/CCCC(=O)C1)c1ccccc1
InChIInChI=1S/C22H26OSi/c1-24(2,21-14-7-4-8-15-21)22(19-11-5-3-6-12-19)17-18-10-9-13-20(23)16-18/h3-8,11-12,14-15,17,22H,9-10,13,16H2,1-2H3/b18-17-/t22-/m1/s1
InChIKeyZXCXTTDNGPOOIX-WLBHNISZSA-N
MW334.53 g/mol
LogP4.99
Rot. Bonds4

About (3Z)-3-[(2R)-2-[dimethyl(phenyl)silyl]-2-phenylethylidene]cyclohexan-1-one

(3Z)-3-[(2R)-2-[dimethyl(phenyl)silyl]-2-phenylethylidene]cyclohexan-1-one (PubChem CID 135063035) has the molecular formula C22H26OSi and a molecular weight of 334.53 g/mol. Its IUPAC name is (3Z)-3-[(2R)-2-[dimethyl(phenyl)silyl]-2-phenylethylidene]cyclohexan-1-one.

Molecular Properties

Compound Name(3Z)-3-[(2R)-2-[dimethyl(phenyl)silyl]-2-phenylethylidene]cyclohexan-1-one
PubChem CID135063035
Molecular FormulaC22H26OSi
Molecular Weight334.53 g/mol
Exact Mass334.18
IUPAC Name(3Z)-3-[(2R)-2-[dimethyl(phenyl)silyl]-2-phenylethylidene]cyclohexan-1-one
SMILESC[Si](C)(c1ccccc1)[C@H](/C=C1/CCCC(=O)C1)c1ccccc1
InChIInChI=1S/C22H26OSi/c1-24(2,21-14-7-4-8-15-21)22(19-11-5-3-6-12-19)17-18-10-9-13-20(23)16-18/h3-8,11-12,14-15,17,22H,9-10,13,16H2,1-2H3/b18-17-/t22-/m1/s1
InChIKeyZXCXTTDNGPOOIX-WLBHNISZSA-N
XLogP4.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-3-[(2R)-2-[dimethyl(phenyl)silyl]-2-phenylethylidene]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 (3Z)-3-[(2R)-2-[dimethyl(phenyl)silyl]-2-phenylethylidene]cyclohexan-1-one?
The IUPAC name of (3Z)-3-[(2R)-2-[dimethyl(phenyl)silyl]-2-phenylethylidene]cyclohexan-1-one (CID 135063035) is (3Z)-3-[(2R)-2-[dimethyl(phenyl)silyl]-2-phenylethylidene]cyclohexan-1-one.
What is the SMILES notation for (3Z)-3-[(2R)-2-[dimethyl(phenyl)silyl]-2-phenylethylidene]cyclohexan-1-one?
The canonical SMILES for (3Z)-3-[(2R)-2-[dimethyl(phenyl)silyl]-2-phenylethylidene]cyclohexan-1-one is C[Si](C)(c1ccccc1)[C@H](/C=C1/CCCC(=O)C1)c1ccccc1.
What is the InChIKey of (3Z)-3-[(2R)-2-[dimethyl(phenyl)silyl]-2-phenylethylidene]cyclohexan-1-one?
The InChIKey is ZXCXTTDNGPOOIX-WLBHNISZSA-N. The full InChI is InChI=1S/C22H26OSi/c1-24(2,21-14-7-4-8-15-21)22(19-11-5-3-6-12-19)17-18-10-9-13-20(23)16-18/h3-8,11-12,14-15,17,22H,9-10,13,16H2,1-2H3/b18-17-/t22-/m1/s1.
What are the key properties of (3Z)-3-[(2R)-2-[dimethyl(phenyl)silyl]-2-phenylethylidene]cyclohexan-1-one?
(3Z)-3-[(2R)-2-[dimethyl(phenyl)silyl]-2-phenylethylidene]cyclohexan-1-one has a molecular weight of 334.53 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2R)-2-[dimethyl(phenyl)silyl]-2-phenylethylidene]cyclohexan-1-one is sourced from PubChem (CID 135063035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).