[1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol

C7H12O2 — CID 14656537

IUPAC[1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol
SMILESOCC1(CO)CC=CC1
InChIInChI=1S/C7H12O2/c8-5-7(6-9)3-1-2-4-7/h1-2,8-9H,3-6H2
InChIKeyRUHAWWJUERMTEW-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.31
Rot. Bonds2

About [1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol

[1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol (PubChem CID 14656537) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is [1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol.

Molecular Properties

Compound Name[1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol
PubChem CID14656537
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name[1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol
SMILESOCC1(CO)CC=CC1
InChIInChI=1S/C7H12O2/c8-5-7(6-9)3-1-2-4-7/h1-2,8-9H,3-6H2
InChIKeyRUHAWWJUERMTEW-UHFFFAOYSA-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 [1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol?
The IUPAC name of [1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol (CID 14656537) is [1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol.
What is the SMILES notation for [1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol?
The canonical SMILES for [1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol is OCC1(CO)CC=CC1.
What is the InChIKey of [1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol?
The InChIKey is RUHAWWJUERMTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c8-5-7(6-9)3-1-2-4-7/h1-2,8-9H,3-6H2.
What are the key properties of [1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol?
[1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol 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 [1-(hydroxymethyl)cyclopent-3-en-1-yl]methanol is sourced from PubChem (CID 14656537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).