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

C19H30O4SSi — CID 100950606

IUPAC(2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclopentan-1-one
SMILESCC[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H30O4SSi/c1-7-15-17(23-25(5,6)19(2,3)4)13-16(20)18(15)24(21,22)14-11-9-8-10-12-14/h8-12,15,17-18H,7,13H2,1-6H3/t15-,17-,18+/m0/s1
InChIKeyJWPJWMMYRTUMAZ-RYQLBKOJSA-N
MW382.60 g/mol
LogP4.22
Rot. Bonds5

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

(2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclopentan-1-one (PubChem CID 100950606) has the molecular formula C19H30O4SSi and a molecular weight of 382.60 g/mol. Its IUPAC name is (2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclopentan-1-one.

Molecular Properties

Compound Name(2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclopentan-1-one
PubChem CID100950606
Molecular FormulaC19H30O4SSi
Molecular Weight382.60 g/mol
Exact Mass382.16
IUPAC Name(2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclopentan-1-one
SMILESCC[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H30O4SSi/c1-7-15-17(23-25(5,6)19(2,3)4)13-16(20)18(15)24(21,22)14-11-9-8-10-12-14/h8-12,15,17-18H,7,13H2,1-6H3/t15-,17-,18+/m0/s1
InChIKeyJWPJWMMYRTUMAZ-RYQLBKOJSA-N
XLogP4.22
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.60
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclopentan-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 (2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclopentan-1-one?
The IUPAC name of (2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclopentan-1-one (CID 100950606) is (2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclopentan-1-one.
What is the SMILES notation for (2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclopentan-1-one?
The canonical SMILES for (2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclopentan-1-one is CC[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-ethylcyclopentan-1-one?
The InChIKey is JWPJWMMYRTUMAZ-RYQLBKOJSA-N. The full InChI is InChI=1S/C19H30O4SSi/c1-7-15-17(23-25(5,6)19(2,3)4)13-16(20)18(15)24(21,22)14-11-9-8-10-12-14/h8-12,15,17-18H,7,13H2,1-6H3/t15-,17-,18+/m0/s1.
What are the key properties of (2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclopentan-1-one?
(2R,3S,4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclopentan-1-one has a molecular weight of 382.60 g/mol, XLogP of 4.22, 5 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-ethylcyclopentan-1-one is sourced from PubChem (CID 100950606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).