(3Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhexa-1,3-dien-1-one

C17H30OSi — CID 66552331

IUPAC(3Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhexa-1,3-dien-1-one
SMILESCC(C)(C)/C=C(\C(=C=O)[Si](C)(C)C)C1CCCCC1
InChIInChI=1S/C17H30OSi/c1-17(2,3)12-15(14-10-8-7-9-11-14)16(13-18)19(4,5)6/h12,14H,7-11H2,1-6H3/b15-12-
InChIKeyGTMMBRYWBYYCGV-QINSGFPZSA-N
MW278.51 g/mol
LogP5.17
Rot. Bonds3

About (3Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhexa-1,3-dien-1-one

(3Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhexa-1,3-dien-1-one (PubChem CID 66552331) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is (3Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhexa-1,3-dien-1-one.

Molecular Properties

Compound Name(3Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhexa-1,3-dien-1-one
PubChem CID66552331
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Name(3Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhexa-1,3-dien-1-one
SMILESCC(C)(C)/C=C(\C(=C=O)[Si](C)(C)C)C1CCCCC1
InChIInChI=1S/C17H30OSi/c1-17(2,3)12-15(14-10-8-7-9-11-14)16(13-18)19(4,5)6/h12,14H,7-11H2,1-6H3/b15-12-
InChIKeyGTMMBRYWBYYCGV-QINSGFPZSA-N
XLogP5.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.51
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhexa-1,3-dien-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-cyclohexyl-5,5-dimethyl-2-trimethylsilylhexa-1,3-dien-1-one?
The IUPAC name of (3Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhexa-1,3-dien-1-one (CID 66552331) is (3Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhexa-1,3-dien-1-one.
What is the SMILES notation for (3Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhexa-1,3-dien-1-one?
The canonical SMILES for (3Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhexa-1,3-dien-1-one is CC(C)(C)/C=C(\C(=C=O)[Si](C)(C)C)C1CCCCC1.
What is the InChIKey of (3Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhexa-1,3-dien-1-one?
The InChIKey is GTMMBRYWBYYCGV-QINSGFPZSA-N. The full InChI is InChI=1S/C17H30OSi/c1-17(2,3)12-15(14-10-8-7-9-11-14)16(13-18)19(4,5)6/h12,14H,7-11H2,1-6H3/b15-12-.
What are the key properties of (3Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhexa-1,3-dien-1-one?
(3Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhexa-1,3-dien-1-one has a molecular weight of 278.51 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-cyclohexyl-5,5-dimethyl-2-trimethylsilylhexa-1,3-dien-1-one is sourced from PubChem (CID 66552331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).