Cyclobutyrol

C₁₀H₁₈O₃ — CID 76958622

About Cyclobutyrol

Cyclobutyrol (PubChem CID 76958622) has the molecular formula C₁₀H₁₈O₃ and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S)-2-(1-hydroxycyclohexyl)butanoic acid.

Molecular Properties

• Compound Name: Cyclobutyrol
• PubChem CID: 76958622
• Molecular Formula: C₁₀H₁₈O₃
• Molecular Weight: 186.25 g/mol
• Exact Mass: 186.13
• IUPAC Name: (2S)-2-(1-hydroxycyclohexyl)butanoic acid
• SMILES: CCC(C(=O)O)C1(O)CCCCC1
• InChI: InChI=1S/C10H18O3/c1-2-8(9(11)12)10(13)6-4-3-5-7-10/h8,13H,2-7H2,1H3,(H,11,12)
• InChIKey: NIVFTEMPSCMWDE-UHFFFAOYSA-N
• XLogP: 1.79
• TPSA: 57.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	186.25
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Cyclobutyrol?

The IUPAC name of Cyclobutyrol (CID 76958622) is (2S)-2-(1-hydroxycyclohexyl)butanoic acid.

What is the SMILES notation for Cyclobutyrol?

The canonical SMILES for Cyclobutyrol is CCC(C(=O)O)C1(O)CCCCC1.

What is the InChIKey of Cyclobutyrol?

The InChIKey is NIVFTEMPSCMWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-8(9(11)12)10(13)6-4-3-5-7-10/h8,13H,2-7H2,1H3,(H,11,12).

What are the key properties of Cyclobutyrol?

Cyclobutyrol has a molecular weight of 186.25 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Cyclobutyrol is sourced from PubChem (CID 76958622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 76958622 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 752 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.