3-Ethenyl-3-hydroxycyclohexan-1-one

C₈H₁₂O₂ — CID 155931885

About 3-Ethenyl-3-hydroxycyclohexan-1-one

3-Ethenyl-3-hydroxycyclohexan-1-one (PubChem CID 155931885) has the molecular formula C₈H₁₂O₂ and a molecular weight of 140.18 g/mol. Its IUPAC name is 3-ethenyl-3-hydroxycyclohexan-1-one.

Molecular Properties

• Compound Name: 3-Ethenyl-3-hydroxycyclohexan-1-one
• PubChem CID: 155931885
• Molecular Formula: C₈H₁₂O₂
• Molecular Weight: 140.18 g/mol
• Exact Mass: 140.08
• IUPAC Name: 3-ethenyl-3-hydroxycyclohexan-1-one
• SMILES: C=CC1(O)CCCC(=O)C1
• InChI: InChI=1S/C8H12O2/c1-2-8(10)5-3-4-7(9)6-8/h2,10H,1,3-6H2
• InChIKey: XWFPBNQAIMJQPE-UHFFFAOYSA-N
• XLogP: 1.05
• TPSA: 37.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	140.18
LogP ≤ 5	1.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-Ethenyl-3-hydroxycyclohexan-1-one?

The IUPAC name of 3-Ethenyl-3-hydroxycyclohexan-1-one (CID 155931885) is 3-ethenyl-3-hydroxycyclohexan-1-one.

What is the SMILES notation for 3-Ethenyl-3-hydroxycyclohexan-1-one?

The canonical SMILES for 3-Ethenyl-3-hydroxycyclohexan-1-one is C=CC1(O)CCCC(=O)C1.

What is the InChIKey of 3-Ethenyl-3-hydroxycyclohexan-1-one?

The InChIKey is XWFPBNQAIMJQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-8(10)5-3-4-7(9)6-8/h2,10H,1,3-6H2.

What are the key properties of 3-Ethenyl-3-hydroxycyclohexan-1-one?

3-Ethenyl-3-hydroxycyclohexan-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-Ethenyl-3-hydroxycyclohexan-1-one is sourced from PubChem (CID 155931885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155931885 — identifiers, structure, computed properties (public domain)

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