1-methylcyclopent-4-ene-1,3-diol

C6H10O2 — CID 14083582

IUPAC1-methylcyclopent-4-ene-1,3-diol
SMILESCC1(O)C=CC(O)C1
InChIInChI=1S/C6H10O2/c1-6(8)3-2-5(7)4-6/h2-3,5,7-8H,4H2,1H3
InChIKeyWLJBGUSEZDEMAT-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.06
Rot. Bonds

About 1-methylcyclopent-4-ene-1,3-diol

1-methylcyclopent-4-ene-1,3-diol (PubChem CID 14083582) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 1-methylcyclopent-4-ene-1,3-diol.

Molecular Properties

Compound Name1-methylcyclopent-4-ene-1,3-diol
PubChem CID14083582
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name1-methylcyclopent-4-ene-1,3-diol
SMILESCC1(O)C=CC(O)C1
InChIInChI=1S/C6H10O2/c1-6(8)3-2-5(7)4-6/h2-3,5,7-8H,4H2,1H3
InChIKeyWLJBGUSEZDEMAT-UHFFFAOYSA-N
XLogP0.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.06
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-methylcyclopent-4-ene-1,3-diol?
The IUPAC name of 1-methylcyclopent-4-ene-1,3-diol (CID 14083582) is 1-methylcyclopent-4-ene-1,3-diol.
What is the SMILES notation for 1-methylcyclopent-4-ene-1,3-diol?
The canonical SMILES for 1-methylcyclopent-4-ene-1,3-diol is CC1(O)C=CC(O)C1.
What is the InChIKey of 1-methylcyclopent-4-ene-1,3-diol?
The InChIKey is WLJBGUSEZDEMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-6(8)3-2-5(7)4-6/h2-3,5,7-8H,4H2,1H3.
What are the key properties of 1-methylcyclopent-4-ene-1,3-diol?
1-methylcyclopent-4-ene-1,3-diol has a molecular weight of 114.14 g/mol, XLogP of 0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclopent-4-ene-1,3-diol is sourced from PubChem (CID 14083582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).