[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methanol

C7H12O2 — CID 10964520

IUPAC[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methanol
SMILESOC[C@H]1C=C[C@@H](CO)C1
InChIInChI=1S/C7H12O2/c8-4-6-1-2-7(3-6)5-9/h1-2,6-9H,3-5H2/t6-,7+
InChIKeySBAFXJOYJXMBAV-KNVOCYPGSA-N
MW128.17 g/mol
LogP0.16
Rot. Bonds2

About [(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methanol

[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methanol (PubChem CID 10964520) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is [(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methanol
PubChem CID10964520
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methanol
SMILESOC[C@H]1C=C[C@@H](CO)C1
InChIInChI=1S/C7H12O2/c8-4-6-1-2-7(3-6)5-9/h1-2,6-9H,3-5H2/t6-,7+
InChIKeySBAFXJOYJXMBAV-KNVOCYPGSA-N
XLogP0.16
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 ≤ 50.16
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 [(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methanol (CID 10964520) is [(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methanol is OC[C@H]1C=C[C@@H](CO)C1.
What is the InChIKey of [(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methanol?
The InChIKey is SBAFXJOYJXMBAV-KNVOCYPGSA-N. The full InChI is InChI=1S/C7H12O2/c8-4-6-1-2-7(3-6)5-9/h1-2,6-9H,3-5H2/t6-,7+.
What are the key properties of [(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methanol?
[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methanol has a molecular weight of 128.17 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 10964520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).