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

C17H26O4SSi — CID 4593530

IUPAC2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OC1C=C(S(=O)(=O)c2ccccc2)C(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
InChIKeyITCWKNISOGETQC-UHFFFAOYSA-N
MW354.54 g/mol
LogP3.50
Rot. Bonds4

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

2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol (PubChem CID 4593530) has the molecular formula C17H26O4SSi and a molecular weight of 354.54 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol.

Molecular Properties

Compound Name2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
PubChem CID4593530
Molecular FormulaC17H26O4SSi
Molecular Weight354.54 g/mol
Exact Mass354.13
IUPAC Name2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OC1C=C(S(=O)(=O)c2ccccc2)C(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
InChIKeyITCWKNISOGETQC-UHFFFAOYSA-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

[(1R,4S,7R)-2-(benzenesulfonyl)-8-oxabicyclo[5.1.0]oct-2-en-4-yl]oxy-tert-butyl-dimethylsilane
CID 11280457
(1R,4R,5S)-3-(benzenesulfonyl)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohept-2-en-1-ol
CID 11246486
(1R,4S,5S)-3-(benzenesulfonyl)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohept-2-en-1-ol
CID 11315459
(1R,6S)-2-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-dien-1-ol
CID 11014022
(1S,2R,6S,7R)-3-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-2,7-dimethylcyclohept-3-en-1-ol
CID 139117918
[(1R,2R,6S)-3-(benzenesulfonyl)-2,6-dimethylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 10981797
[(1S)-3-(benzenesulfonyl)cyclohexa-2,5-dien-1-yl]oxy-tert-butyl-dimethylsilane
CID 101044433
(1S,7S,8R,8aR)-8-(benzenesulfonyl)-1-[tert-butyl(dimethyl)silyl]oxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-ol
CID 134886788
[(1R,2R)-5-(benzenesulfonyl)-2-methylcyclohepta-3,5-dien-1-yl]oxy-tert-butyl-dimethylsilane
CID 102254190
[(1S,3R,5R)-9-(benzenesulfonyl)-3-tricyclo[6.3.0.01,5]undec-8-enyl]oxy-tert-butyl-dimethylsilane
CID 139252771
[9-(benzenesulfonyl)-3-tricyclo[6.3.0.01,5]undec-8-enyl]oxy-tert-butyl-dimethylsilane
CID 139252741
(1R,4S)-2-(benzenesulfonyl)-4-(2-methoxyphenyl)cyclohex-2-en-1-ol
CID 101142433

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol?
The IUPAC name of 2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol (CID 4593530) is 2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol.
What is the SMILES notation for 2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol?
The canonical SMILES for 2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol is CC(C)(C)[Si](C)(C)OC1C=C(S(=O)(=O)c2ccccc2)C(O)C1.
What is the InChIKey of 2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol?
The InChIKey is ITCWKNISOGETQC-UHFFFAOYSA-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.
What are the key properties of 2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol?
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 2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol is sourced from PubChem (CID 4593530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).