2-(benzenesulfonyl)-2-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopentan-1-one

C18H26O3SSi — CID 12729180

IUPAC2-(benzenesulfonyl)-2-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopentan-1-one
SMILESC=C(CC1(S(=O)(=O)c2ccccc2)CCCC1=O)C[Si](C)(C)C
InChIInChI=1S/C18H26O3SSi/c1-15(14-23(2,3)4)13-18(12-8-11-17(18)19)22(20,21)16-9-6-5-7-10-16/h5-7,9-10H,1,8,11-14H2,2-4H3
InChIKeyUHPPNWPFTKGBAN-UHFFFAOYSA-N
MW350.56 g/mol
LogP4.24
Rot. Bonds6

About 2-(benzenesulfonyl)-2-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopentan-1-one

2-(benzenesulfonyl)-2-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopentan-1-one (PubChem CID 12729180) has the molecular formula C18H26O3SSi and a molecular weight of 350.56 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-2-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-(benzenesulfonyl)-2-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopentan-1-one
PubChem CID12729180
Molecular FormulaC18H26O3SSi
Molecular Weight350.56 g/mol
Exact Mass350.14
IUPAC Name2-(benzenesulfonyl)-2-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopentan-1-one
SMILESC=C(CC1(S(=O)(=O)c2ccccc2)CCCC1=O)C[Si](C)(C)C
InChIInChI=1S/C18H26O3SSi/c1-15(14-23(2,3)4)13-18(12-8-11-17(18)19)22(20,21)16-9-6-5-7-10-16/h5-7,9-10H,1,8,11-14H2,2-4H3
InChIKeyUHPPNWPFTKGBAN-UHFFFAOYSA-N
XLogP4.24
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.56
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-(Phenylsulfonyl)-2,3-butadienyl)cyclohexanone
CID 379026
2-[(E)-4-(benzenesulfinyl)but-3-enyl]cyclopentan-1-one
CID 10264704
2-[(Z)-4-(benzenesulfinyl)but-3-enyl]cyclopentan-1-one
CID 11777502
2-(Benzenesulfonyl)-2-(3-oxobutyl)cyclohexan-1-one
CID 11781808
1-(4-Methylphenyl)sulfonylundecan-2-one
CID 85649549
7-(Benzenesulfonyl)-3-trimethylsilyl-1,4,5,6-tetrahydroinden-2-one
CID 10926063
trans-(2S,3R)-2-(benzenesulfonyl)-3-ethylcyclopentan-1-one
CID 11118553
8-(benzenesulfonyl)-3-trimethylsilyl-4,5,6,7-tetrahydro-1H-azulen-2-one
CID 11337357
1-[1-(Benzenesulfonyl)-2-butylcycloprop-2-en-1-yl]ethanone
CID 11471455
2-(benzenesulfonyl)-1-[(1R,2R,3S,4S)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]ethanone
CID 11781263
2-(Benzenesulfinyl)-2-methylcyclohexadecan-1-one
CID 11824970
3-[2-(Benzenesulfonyl)propan-2-yl]-2-methylcyclopent-2-en-1-one
CID 11832749

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-2-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopentan-1-one?
The IUPAC name of 2-(benzenesulfonyl)-2-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopentan-1-one (CID 12729180) is 2-(benzenesulfonyl)-2-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopentan-1-one.
What is the SMILES notation for 2-(benzenesulfonyl)-2-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopentan-1-one?
The canonical SMILES for 2-(benzenesulfonyl)-2-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopentan-1-one is C=C(CC1(S(=O)(=O)c2ccccc2)CCCC1=O)C[Si](C)(C)C.
What is the InChIKey of 2-(benzenesulfonyl)-2-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopentan-1-one?
The InChIKey is UHPPNWPFTKGBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3SSi/c1-15(14-23(2,3)4)13-18(12-8-11-17(18)19)22(20,21)16-9-6-5-7-10-16/h5-7,9-10H,1,8,11-14H2,2-4H3.
What are the key properties of 2-(benzenesulfonyl)-2-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopentan-1-one?
2-(benzenesulfonyl)-2-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopentan-1-one has a molecular weight of 350.56 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-2-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopentan-1-one is sourced from PubChem (CID 12729180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).