Dihydroxychaulmoogric acid

C₁₈H₃₂O₄ — CID 131839789

About Dihydroxychaulmoogric acid

Dihydroxychaulmoogric acid (PubChem CID 131839789) has the molecular formula C₁₈H₃₂O₄ and a molecular weight of 312.45 g/mol. Its IUPAC name is 13-(2,3-dihydroxycyclopent-2-en-1-yl)tridecanoic acid.

Molecular Properties

• Compound Name: Dihydroxychaulmoogric acid
• PubChem CID: 131839789
• Molecular Formula: C₁₈H₃₂O₄
• Molecular Weight: 312.45 g/mol
• Exact Mass: 312.23
• IUPAC Name: 13-(2,3-dihydroxycyclopent-2-en-1-yl)tridecanoic acid
• SMILES: O=C(O)CCCCCCCCCCCCC1CCC(O)=C1O
• InChI: InChI=1S/C18H32O4/c19-16-14-13-15(18(16)22)11-9-7-5-3-1-2-4-6-8-10-12-17(20)21/h15,19,22H,1-14H2,(H,20,21)
• InChIKey: AVUCHZPQKYTWLG-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 77.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	312.45
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Dihydroxychaulmoogric acid?

The IUPAC name of Dihydroxychaulmoogric acid (CID 131839789) is 13-(2,3-dihydroxycyclopent-2-en-1-yl)tridecanoic acid.

What is the SMILES notation for Dihydroxychaulmoogric acid?

The canonical SMILES for Dihydroxychaulmoogric acid is O=C(O)CCCCCCCCCCCCC1CCC(O)=C1O.

What is the InChIKey of Dihydroxychaulmoogric acid?

The InChIKey is AVUCHZPQKYTWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4/c19-16-14-13-15(18(16)22)11-9-7-5-3-1-2-4-6-8-10-12-17(20)21/h15,19,22H,1-14H2,(H,20,21).

What are the key properties of Dihydroxychaulmoogric acid?

Dihydroxychaulmoogric acid has a molecular weight of 312.45 g/mol, XLogP of 5.49, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Dihydroxychaulmoogric acid is sourced from PubChem (CID 131839789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 131839789 — identifiers, structure, computed properties (public domain)

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