carbon dioxide;ethanol

C3H6O3 — CID 19604758

IUPACcarbon dioxide;ethanol
SMILESCCO.O=C=O
InChIInChI=1S/C2H6O.CO2/c1-2-3;2-1-3/h3H,2H2,1H3;
InChIKeyOSQPUMRCKZAIOZ-UHFFFAOYSA-N
MW90.08 g/mol
LogP-0.58
Rot. Bonds

About carbon dioxide;ethanol

carbon dioxide;ethanol (PubChem CID 19604758) has the molecular formula C3H6O3 and a molecular weight of 90.08 g/mol. Its IUPAC name is carbon dioxide;ethanol.

Molecular Properties

Compound Namecarbon dioxide;ethanol
PubChem CID19604758
Molecular FormulaC3H6O3
Molecular Weight90.08 g/mol
Exact Mass90.03
IUPAC Namecarbon dioxide;ethanol
SMILESCCO.O=C=O
InChIInChI=1S/C2H6O.CO2/c1-2-3;2-1-3/h3H,2H2,1H3;
InChIKeyOSQPUMRCKZAIOZ-UHFFFAOYSA-N
XLogP-0.58
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.08
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;ethanol?
The IUPAC name of carbon dioxide;ethanol (CID 19604758) is carbon dioxide;ethanol.
What is the SMILES notation for carbon dioxide;ethanol?
The canonical SMILES for carbon dioxide;ethanol is CCO.O=C=O.
What is the InChIKey of carbon dioxide;ethanol?
The InChIKey is OSQPUMRCKZAIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.CO2/c1-2-3;2-1-3/h3H,2H2,1H3;.
What are the key properties of carbon dioxide;ethanol?
carbon dioxide;ethanol has a molecular weight of 90.08 g/mol, XLogP of -0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;ethanol is sourced from PubChem (CID 19604758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).