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

C17H26O4SSi — CID 13174095

IUPAC(1S,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=C(S(=O)(=O)c2ccccc2)[C@@H](O)C1
InChIInChI=1S/C17H26O4SSi/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/h6-10,12-13,15,18H,11H2,1-5H3/t13-,15+/m1/s1
InChIKeyITCWKNISOGETQC-HIFRSBDPSA-N
MW354.54 g/mol
LogP3.50
Rot. Bonds4

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

(1S,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol (PubChem CID 13174095) has the molecular formula C17H26O4SSi and a molecular weight of 354.54 g/mol. Its IUPAC name is (1S,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
PubChem CID13174095
Molecular FormulaC17H26O4SSi
Molecular Weight354.54 g/mol
Exact Mass354.13
IUPAC Name(1S,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=C(S(=O)(=O)c2ccccc2)[C@@H](O)C1
InChIInChI=1S/C17H26O4SSi/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/h6-10,12-13,15,18H,11H2,1-5H3/t13-,15+/m1/s1
InChIKeyITCWKNISOGETQC-HIFRSBDPSA-N
XLogP3.50
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 53.50
H-Bond Donors ≤ 51
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
(1R,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 340334
(1R,4R,5S)-3-(benzenesulfonyl)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohept-2-en-1-ol
CID 11246486
4-Hydroxy-2-phenylsulfonylcyclopent-2-en-1-ol
CID 4029682
[(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane
CID 11012900
(1S,2S,6R,7S)-3-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-2,7-dimethylcyclohept-3-en-1-ol
CID 11567749
6-(Benzenesulfinyl)-8-[tert-butyl(dimethyl)silyl]oxy-4-methylocta-4,5-dien-1-ol
CID 13924995
1-(Benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]but-3-yn-2-ol
CID 21727517
(E)-4-(benzenesulfonyl)-7-[tert-butyl(dimethyl)silyl]-2-methylhept-4-en-6-yn-3-ol
CID 21727518
[(2R)-6-(benzenesulfonyl)hexan-2-yl]oxy-tert-butyl-dimethylsilane
CID 101161742
(1S)-5-(benzenesulfonyl)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclopent-3-en-1-yloxycyclohexa-2,4-dien-1-ol
CID 101535670
[(1R)-3-(benzenesulfonyl)cyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 101872588

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol?
The IUPAC name of (1S,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol (CID 13174095) is (1S,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol?
The canonical SMILES for (1S,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol is CC(C)(C)[Si](C)(C)O[C@H]1C=C(S(=O)(=O)c2ccccc2)[C@@H](O)C1.
What is the InChIKey of (1S,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol?
The InChIKey is ITCWKNISOGETQC-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H26O4SSi/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/h6-10,12-13,15,18H,11H2,1-5H3/t13-,15+/m1/s1.
What are the key properties of (1S,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol?
(1S,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol has a molecular weight of 354.54 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol is sourced from PubChem (CID 13174095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).