(1R,5S)-5-(2-hydroxyethyl)cyclopent-2-en-1-ol

C7H12O2 — CID 10975501

IUPAC(1R,5S)-5-(2-hydroxyethyl)cyclopent-2-en-1-ol
SMILESOCC[C@@H]1CC=C[C@@H]1O
InChIInChI=1S/C7H12O2/c8-5-4-6-2-1-3-7(6)9/h1,3,6-9H,2,4-5H2/t6-,7-/m0/s1
InChIKeyJFKRLRMLBGHFHE-BQBZGAKWSA-N
MW128.17 g/mol
LogP0.31
Rot. Bonds2

About (1R,5S)-5-(2-hydroxyethyl)cyclopent-2-en-1-ol

(1R,5S)-5-(2-hydroxyethyl)cyclopent-2-en-1-ol (PubChem CID 10975501) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (1R,5S)-5-(2-hydroxyethyl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1R,5S)-5-(2-hydroxyethyl)cyclopent-2-en-1-ol
PubChem CID10975501
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(1R,5S)-5-(2-hydroxyethyl)cyclopent-2-en-1-ol
SMILESOCC[C@@H]1CC=C[C@@H]1O
InChIInChI=1S/C7H12O2/c8-5-4-6-2-1-3-7(6)9/h1,3,6-9H,2,4-5H2/t6-,7-/m0/s1
InChIKeyJFKRLRMLBGHFHE-BQBZGAKWSA-N
XLogP0.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (1R,5S)-5-(2-hydroxyethyl)cyclopent-2-en-1-ol?
The IUPAC name of (1R,5S)-5-(2-hydroxyethyl)cyclopent-2-en-1-ol (CID 10975501) is (1R,5S)-5-(2-hydroxyethyl)cyclopent-2-en-1-ol.
What is the SMILES notation for (1R,5S)-5-(2-hydroxyethyl)cyclopent-2-en-1-ol?
The canonical SMILES for (1R,5S)-5-(2-hydroxyethyl)cyclopent-2-en-1-ol is OCC[C@@H]1CC=C[C@@H]1O.
What is the InChIKey of (1R,5S)-5-(2-hydroxyethyl)cyclopent-2-en-1-ol?
The InChIKey is JFKRLRMLBGHFHE-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H12O2/c8-5-4-6-2-1-3-7(6)9/h1,3,6-9H,2,4-5H2/t6-,7-/m0/s1.
What are the key properties of (1R,5S)-5-(2-hydroxyethyl)cyclopent-2-en-1-ol?
(1R,5S)-5-(2-hydroxyethyl)cyclopent-2-en-1-ol has a molecular weight of 128.17 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-5-(2-hydroxyethyl)cyclopent-2-en-1-ol is sourced from PubChem (CID 10975501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).