(4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one

C17H24O4SSi — CID 11110960

IUPAC(4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C(S(=O)(=O)c2ccccc2)C(=O)C1
InChIInChI=1S/C17H24O4SSi/c1-17(2,3)23(4,5)21-13-11-15(18)16(12-13)22(19,20)14-9-7-6-8-10-14/h6-10,12-13H,11H2,1-5H3/t13-/m0/s1
InChIKeySHVMGWMLYBFLRT-ZDUSSCGKSA-N
MW352.53 g/mol
LogP3.71
Rot. Bonds4

About (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one

(4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one (PubChem CID 11110960) has the molecular formula C17H24O4SSi and a molecular weight of 352.53 g/mol. Its IUPAC name is (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
PubChem CID11110960
Molecular FormulaC17H24O4SSi
Molecular Weight352.53 g/mol
Exact Mass352.12
IUPAC Name(4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C(S(=O)(=O)c2ccccc2)C(=O)C1
InChIInChI=1S/C17H24O4SSi/c1-17(2,3)23(4,5)21-13-11-15(18)16(12-13)22(19,20)14-9-7-6-8-10-14/h6-10,12-13H,11H2,1-5H3/t13-/m0/s1
InChIKeySHVMGWMLYBFLRT-ZDUSSCGKSA-N
XLogP3.71
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1S,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 340333
4-[(Z)-6-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhex-1-enyl]-4-methylcyclohexa-2,5-dien-1-one
CID 11102994
[(1R)-3-(benzenesulfonyl)cyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 101872588
methyl (E)-2-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
CID 102238807
[(1S,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] methanesulfonate
CID 13174097
[(1R,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] methanesulfonate
CID 21628657
(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-phenylsulfanylcyclohex-2-en-1-one
CID 102181040
(4R,5R,6R)-(+)-2-Benzenesulfonyl-4-(t-butyldimethylsilyloxy)-5,6-dimethyl-2-cyclohexen-1-one
CID 11036671
S-phenyl 3-[tert-butyl(dimethyl)silyl]oxybutanethioate
CID 13712782
(4R,6R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethylcyclohex-2-en-1-one
CID 53809347
[2-(Benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 5133448
(4S,5S,6R)-2-(benzenesulfonyl)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one
CID 10675445

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
The IUPAC name of (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one (CID 11110960) is (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one.
What is the SMILES notation for (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
The canonical SMILES for (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one is CC(C)(C)[Si](C)(C)O[C@@H]1C=C(S(=O)(=O)c2ccccc2)C(=O)C1.
What is the InChIKey of (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
The InChIKey is SHVMGWMLYBFLRT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24O4SSi/c1-17(2,3)23(4,5)21-13-11-15(18)16(12-13)22(19,20)14-9-7-6-8-10-14/h6-10,12-13H,11H2,1-5H3/t13-/m0/s1.
What are the key properties of (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one?
(4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one has a molecular weight of 352.53 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one is sourced from PubChem (CID 11110960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).