2-(2-hydroxyethylidene)cyclohexane-1,3-diol

C₈H₁₄O₃ — CID 130127302

About 2-(2-hydroxyethylidene)cyclohexane-1,3-diol

2-(2-hydroxyethylidene)cyclohexane-1,3-diol (PubChem CID 130127302) has the molecular formula C₈H₁₄O₃ and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(2-hydroxyethylidene)cyclohexane-1,3-diol.

Molecular Properties

• Compound Name: 2-(2-hydroxyethylidene)cyclohexane-1,3-diol
• PubChem CID: 130127302
• Molecular Formula: C₈H₁₄O₃
• Molecular Weight: 158.20 g/mol
• Exact Mass: 158.09
• IUPAC Name: 2-(2-hydroxyethylidene)cyclohexane-1,3-diol
• SMILES: OCC=C1C(O)CCCC1O
• InChI: InChI=1S/C8H14O3/c9-5-4-6-7(10)2-1-3-8(6)11/h4,7-11H,1-3,5H2
• InChIKey: NYUGZBWHVGYOMN-UHFFFAOYSA-N
• XLogP: -0.19
• TPSA: 60.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	158.20
LogP ≤ 5	-0.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylidene)cyclohexane-1,3-diol?

The IUPAC name of 2-(2-hydroxyethylidene)cyclohexane-1,3-diol (CID 130127302) is 2-(2-hydroxyethylidene)cyclohexane-1,3-diol.

What is the SMILES notation for 2-(2-hydroxyethylidene)cyclohexane-1,3-diol?

The canonical SMILES for 2-(2-hydroxyethylidene)cyclohexane-1,3-diol is OCC=C1C(O)CCCC1O.

What is the InChIKey of 2-(2-hydroxyethylidene)cyclohexane-1,3-diol?

The InChIKey is NYUGZBWHVGYOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c9-5-4-6-7(10)2-1-3-8(6)11/h4,7-11H,1-3,5H2.

What are the key properties of 2-(2-hydroxyethylidene)cyclohexane-1,3-diol?

2-(2-hydroxyethylidene)cyclohexane-1,3-diol has a molecular weight of 158.20 g/mol, XLogP of -0.19, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-hydroxyethylidene)cyclohexane-1,3-diol is sourced from PubChem (CID 130127302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130127302 — identifiers, structure, computed properties (public domain)

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