(1S,2R)-2-(1,3-oxathiolan-2-ylmethyl)cyclopent-3-en-1-ol

C9H14O2S — CID 22797685

IUPAC(1S,2R)-2-(1,3-oxathiolan-2-ylmethyl)cyclopent-3-en-1-ol
SMILESO[C@H]1CC=C[C@H]1CC1OCCS1
InChIInChI=1S/C9H14O2S/c10-8-3-1-2-7(8)6-9-11-4-5-12-9/h1-2,7-10H,3-6H2/t7-,8-,9?/m0/s1
InChIKeyWIGHLLZVIFJPQV-JVIMKECRSA-N
MW186.28 g/mol
LogP1.40
Rot. Bonds2

About (1S,2R)-2-(1,3-oxathiolan-2-ylmethyl)cyclopent-3-en-1-ol

(1S,2R)-2-(1,3-oxathiolan-2-ylmethyl)cyclopent-3-en-1-ol (PubChem CID 22797685) has the molecular formula C9H14O2S and a molecular weight of 186.28 g/mol. Its IUPAC name is (1S,2R)-2-(1,3-oxathiolan-2-ylmethyl)cyclopent-3-en-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-(1,3-oxathiolan-2-ylmethyl)cyclopent-3-en-1-ol
PubChem CID22797685
Molecular FormulaC9H14O2S
Molecular Weight186.28 g/mol
Exact Mass186.07
IUPAC Name(1S,2R)-2-(1,3-oxathiolan-2-ylmethyl)cyclopent-3-en-1-ol
SMILESO[C@H]1CC=C[C@H]1CC1OCCS1
InChIInChI=1S/C9H14O2S/c10-8-3-1-2-7(8)6-9-11-4-5-12-9/h1-2,7-10H,3-6H2/t7-,8-,9?/m0/s1
InChIKeyWIGHLLZVIFJPQV-JVIMKECRSA-N
XLogP1.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-(1,3-oxathiolan-2-ylmethyl)cyclopent-3-en-1-ol?
The IUPAC name of (1S,2R)-2-(1,3-oxathiolan-2-ylmethyl)cyclopent-3-en-1-ol (CID 22797685) is (1S,2R)-2-(1,3-oxathiolan-2-ylmethyl)cyclopent-3-en-1-ol.
What is the SMILES notation for (1S,2R)-2-(1,3-oxathiolan-2-ylmethyl)cyclopent-3-en-1-ol?
The canonical SMILES for (1S,2R)-2-(1,3-oxathiolan-2-ylmethyl)cyclopent-3-en-1-ol is O[C@H]1CC=C[C@H]1CC1OCCS1.
What is the InChIKey of (1S,2R)-2-(1,3-oxathiolan-2-ylmethyl)cyclopent-3-en-1-ol?
The InChIKey is WIGHLLZVIFJPQV-JVIMKECRSA-N. The full InChI is InChI=1S/C9H14O2S/c10-8-3-1-2-7(8)6-9-11-4-5-12-9/h1-2,7-10H,3-6H2/t7-,8-,9?/m0/s1.
What are the key properties of (1S,2R)-2-(1,3-oxathiolan-2-ylmethyl)cyclopent-3-en-1-ol?
(1S,2R)-2-(1,3-oxathiolan-2-ylmethyl)cyclopent-3-en-1-ol has a molecular weight of 186.28 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-(1,3-oxathiolan-2-ylmethyl)cyclopent-3-en-1-ol is sourced from PubChem (CID 22797685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).