4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-one

C28H32OSi — CID 85275903

IUPAC4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-one
SMILESCC1CCC(CCCC(=O)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C28H32OSi/c1-23-20-21-24(22-23)12-11-19-28(29)30(25-13-5-2-6-14-25,26-15-7-3-8-16-26)27-17-9-4-10-18-27/h2-10,13-18,23-24H,11-12,19-22H2,1H3
InChIKeyIEIOHZMIYXHZSM-UHFFFAOYSA-N
MW412.65 g/mol
LogP4.87
Rot. Bonds8

About 4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-one

4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-one (PubChem CID 85275903) has the molecular formula C28H32OSi and a molecular weight of 412.65 g/mol. Its IUPAC name is 4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-one.

Molecular Properties

Compound Name4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-one
PubChem CID85275903
Molecular FormulaC28H32OSi
Molecular Weight412.65 g/mol
Exact Mass412.22
IUPAC Name4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-one
SMILESCC1CCC(CCCC(=O)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C28H32OSi/c1-23-20-21-24(22-23)12-11-19-28(29)30(25-13-5-2-6-14-25,26-15-7-3-8-16-26)27-17-9-4-10-18-27/h2-10,13-18,23-24H,11-12,19-22H2,1H3
InChIKeyIEIOHZMIYXHZSM-UHFFFAOYSA-N
XLogP4.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.65
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[Tert-butyl(diphenyl)silyl]-2-methylcyclohexan-1-one
CID 10066505
3-[(Z)-2-[tert-butyl(diphenyl)silyl]ethenyl]cyclohexan-1-one
CID 11726180
3-[(Z)-1-[dimethyl(phenyl)silyl]hex-1-en-2-yl]cyclohexan-1-one
CID 12576177
1-[(2R,3aS,7aS)-2-[tert-butyl(diphenyl)silyl]-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]ethanone
CID 15419448
trans-(3R,5S)-3-[dimethyl(phenyl)silyl]-5-phenylcyclohexan-1-one
CID 127260673
1-[4-[Fluoro(diphenyl)silyl]phenyl]-3-methylbutan-2-one
CID 162475266
Cyclohexyl-[dimethyl(phenyl)silyl]methanone
CID 10083292
1-[Dimethyl(phenyl)silyl]-3-phenylpropan-1-one
CID 10400858
1-[(2R,3aS,7aS)-2-triphenylsilyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]ethanone
CID 11058978
3-Phenyl-1-triphenylsilylpropan-1-one
CID 11984035
3-Benzyl-4-phenyl-1-triphenylsilylbutan-1-one
CID 11984086
1-[Methyl(diphenyl)silyl]-4-phenylbutan-1-one
CID 12183321

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-one?
The IUPAC name of 4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-one (CID 85275903) is 4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-one.
What is the SMILES notation for 4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-one?
The canonical SMILES for 4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-one is CC1CCC(CCCC(=O)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-one?
The InChIKey is IEIOHZMIYXHZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32OSi/c1-23-20-21-24(22-23)12-11-19-28(29)30(25-13-5-2-6-14-25,26-15-7-3-8-16-26)27-17-9-4-10-18-27/h2-10,13-18,23-24H,11-12,19-22H2,1H3.
What are the key properties of 4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-one?
4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-one has a molecular weight of 412.65 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylcyclopentyl)-1-triphenylsilylbutan-1-one is sourced from PubChem (CID 85275903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).