(2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentan-1-one

C18H28O4SSi — CID 11068612

IUPAC(2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentan-1-one
SMILESC[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H28O4SSi/c1-13-16(22-24(5,6)18(2,3)4)12-15(19)17(13)23(20,21)14-10-8-7-9-11-14/h7-11,13,16-17H,12H2,1-6H3/t13-,16-,17+/m0/s1
InChIKeyRUBFHRLXRXPIFC-RRQGHBQHSA-N
MW368.57 g/mol
LogP3.83
Rot. Bonds4

About (2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentan-1-one

(2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentan-1-one (PubChem CID 11068612) has the molecular formula C18H28O4SSi and a molecular weight of 368.57 g/mol. Its IUPAC name is (2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentan-1-one.

Molecular Properties

Compound Name(2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentan-1-one
PubChem CID11068612
Molecular FormulaC18H28O4SSi
Molecular Weight368.57 g/mol
Exact Mass368.15
IUPAC Name(2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentan-1-one
SMILESC[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H28O4SSi/c1-13-16(22-24(5,6)18(2,3)4)12-15(19)17(13)23(20,21)14-10-8-7-9-11-14/h7-11,13,16-17H,12H2,1-6H3/t13-,16-,17+/m0/s1
InChIKeyRUBFHRLXRXPIFC-RRQGHBQHSA-N
XLogP3.83
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(4-methylphenyl)sulfonyloctan-4-one
CID 10001750
(2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclopentan-1-one
CID 100950606
(2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methylpropyl)cyclopentan-1-one
CID 100950607
trans-(2S,5S)-2-[(R)-(4-methylphenyl)sulfinyl]-5-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one
CID 134971235
(5S,6S)-7-(benzenesulfonyl)-6-[tert-butyl(diphenyl)silyl]oxy-5-methylhept-1-en-4-one
CID 11016780
[(3S,4R)-6-(benzenesulfonyl)-4-methyl-5-oxoheptan-3-yl] (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 11145683
3-[Tert-butyl(dimethyl)silyl]oxy-4-(3-methoxy-1-phenylsulfanylprop-2-enyl)cyclopentan-1-one
CID 85095465
3-(Benzenesulfonyl)-1-[tert-butyl(dimethyl)silyl]oxynon-8-en-4-one
CID 89441340
3-[Tert-butyl(dimethyl)silyl]oxy-4-(3-ethoxy-1-phenylsulfanylprop-2-enyl)cyclopentan-1-one
CID 139608747
3-(Benzenesulfonyl)propoxy-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-4-one
CID 161331268
trans-(3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-3-methoxy-1-phenylsulfanylprop-2-enyl]cyclopentan-1-one
CID 10023453
(5R,6S,7S)-9-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-3,3,5,7-tetramethylnon-1-en-4-one
CID 10552185

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentan-1-one?
The IUPAC name of (2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentan-1-one (CID 11068612) is (2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentan-1-one.
What is the SMILES notation for (2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentan-1-one?
The canonical SMILES for (2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentan-1-one is C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)[C@@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentan-1-one?
The InChIKey is RUBFHRLXRXPIFC-RRQGHBQHSA-N. The full InChI is InChI=1S/C18H28O4SSi/c1-13-16(22-24(5,6)18(2,3)4)12-15(19)17(13)23(20,21)14-10-8-7-9-11-14/h7-11,13,16-17H,12H2,1-6H3/t13-,16-,17+/m0/s1.
What are the key properties of (2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentan-1-one?
(2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentan-1-one has a molecular weight of 368.57 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentan-1-one is sourced from PubChem (CID 11068612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).