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

C7H12O2 — CID 13239166

IUPAC[4-(hydroxymethyl)cyclopent-2-en-1-yl]methanol
SMILESOCC1C=CC(CO)C1
InChIInChI=1S/C7H12O2/c8-4-6-1-2-7(3-6)5-9/h1-2,6-9H,3-5H2
InChIKeySBAFXJOYJXMBAV-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.16
Rot. Bonds2

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

[4-(hydroxymethyl)cyclopent-2-en-1-yl]methanol (PubChem CID 13239166) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is [4-(hydroxymethyl)cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)cyclopent-2-en-1-yl]methanol
PubChem CID13239166
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name[4-(hydroxymethyl)cyclopent-2-en-1-yl]methanol
SMILESOCC1C=CC(CO)C1
InChIInChI=1S/C7H12O2/c8-4-6-1-2-7(3-6)5-9/h1-2,6-9H,3-5H2
InChIKeySBAFXJOYJXMBAV-UHFFFAOYSA-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 [4-(hydroxymethyl)cyclopent-2-en-1-yl]methanol?
The IUPAC name of [4-(hydroxymethyl)cyclopent-2-en-1-yl]methanol (CID 13239166) is [4-(hydroxymethyl)cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [4-(hydroxymethyl)cyclopent-2-en-1-yl]methanol is OCC1C=CC(CO)C1.
What is the InChIKey of [4-(hydroxymethyl)cyclopent-2-en-1-yl]methanol?
The InChIKey is SBAFXJOYJXMBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c8-4-6-1-2-7(3-6)5-9/h1-2,6-9H,3-5H2.
What are the key properties of [4-(hydroxymethyl)cyclopent-2-en-1-yl]methanol?
[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 [4-(hydroxymethyl)cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 13239166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).