Carbon dioxide

CO₂ — CID 280

About Carbon dioxide

Carbon dioxide (PubChem CID 280) has the molecular formula CO₂ and a molecular weight of 44.01 g/mol. Its IUPAC name is carbon dioxide.

Molecular Properties

• Compound Name: Carbon dioxide
• PubChem CID: 280
• Molecular Formula: CO₂
• Molecular Weight: 44.01 g/mol
• Exact Mass: 43.99
• IUPAC Name: carbon dioxide
• SMILES: O=C=O
• InChI: InChI=1S/CO2/c2-1-3
• InChIKey: CURLTUGMZLYLDI-UHFFFAOYSA-N
• XLogP: -0.58
• TPSA: 34.14 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 3
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	44.01
LogP ≤ 5	-0.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Carbon dioxide?

The IUPAC name of Carbon dioxide (CID 280) is carbon dioxide.

What is the SMILES notation for Carbon dioxide?

The canonical SMILES for Carbon dioxide is O=C=O.

What is the InChIKey of Carbon dioxide?

The InChIKey is CURLTUGMZLYLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/CO2/c2-1-3.

What are the key properties of Carbon dioxide?

Carbon dioxide has a molecular weight of 44.01 g/mol, XLogP of -0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Carbon dioxide is sourced from PubChem (CID 280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 280 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4256 — approved-drug record (CC BY-SA 4.0)

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