Hexacyclonic acid

C₉H₁₆O₃ — CID 23444

About Hexacyclonic acid

Hexacyclonic acid (PubChem CID 23444) has the molecular formula C₉H₁₆O₃ and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-[1-(hydroxymethyl)cyclohexyl]acetic acid.

Molecular Properties

• Compound Name: Hexacyclonic acid
• PubChem CID: 23444
• Molecular Formula: C₉H₁₆O₃
• Molecular Weight: 172.22 g/mol
• Exact Mass: 172.11
• IUPAC Name: 2-[1-(hydroxymethyl)cyclohexyl]acetic acid
• SMILES: O=C(O)CC1(CO)CCCCC1
• InChI: InChI=1S/C9H16O3/c10-7-9(6-8(11)12)4-2-1-3-5-9/h10H,1-7H2,(H,11,12)
• InChIKey: WMJPAYUKEVEBCN-UHFFFAOYSA-N
• XLogP: 1.40
• TPSA: 57.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	172.22
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Hexacyclonic acid?

The IUPAC name of Hexacyclonic acid (CID 23444) is 2-[1-(hydroxymethyl)cyclohexyl]acetic acid.

What is the SMILES notation for Hexacyclonic acid?

The canonical SMILES for Hexacyclonic acid is O=C(O)CC1(CO)CCCCC1.

What is the InChIKey of Hexacyclonic acid?

The InChIKey is WMJPAYUKEVEBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c10-7-9(6-8(11)12)4-2-1-3-5-9/h10H,1-7H2,(H,11,12).

What are the key properties of Hexacyclonic acid?

Hexacyclonic acid has a molecular weight of 172.22 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Hexacyclonic acid is sourced from PubChem (CID 23444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 23444 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3459 — approved-drug record (CC BY-SA 4.0)

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