Propylene glycol

C₃H₈O₂ — CID 1030

About Propylene glycol

Propylene glycol (PubChem CID 1030) has the molecular formula C₃H₈O₂ and a molecular weight of 76.10 g/mol. Its IUPAC name is propane-1,2-diol.

Molecular Properties

• Compound Name: Propylene glycol
• PubChem CID: 1030
• Molecular Formula: C₃H₈O₂
• Molecular Weight: 76.10 g/mol
• Exact Mass: 76.05
• IUPAC Name: propane-1,2-diol
• SMILES: CC(O)CO
• InChI: InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
• InChIKey: DNIAPMSPPWPWGF-UHFFFAOYSA-N
• XLogP: -0.64
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 5
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	76.10
LogP ≤ 5	-0.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Propylene glycol?

The IUPAC name of Propylene glycol (CID 1030) is propane-1,2-diol.

What is the SMILES notation for Propylene glycol?

The canonical SMILES for Propylene glycol is CC(O)CO.

What is the InChIKey of Propylene glycol?

The InChIKey is DNIAPMSPPWPWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3.

What are the key properties of Propylene glycol?

Propylene glycol has a molecular weight of 76.10 g/mol, XLogP of -0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Propylene glycol is sourced from PubChem (CID 1030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 1030 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4024 — approved-drug record (CC BY-SA 4.0)

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