carbon dioxide;ethyl acetate

C5H8O4 — CID 86667926

IUPACcarbon dioxide;ethyl acetate
SMILESCCOC(C)=O.O=C=O
InChIInChI=1S/C4H8O2.CO2/c1-3-6-4(2)5;2-1-3/h3H2,1-2H3;
InChIKeyCNNJVIXHUHRLCP-UHFFFAOYSA-N
MW132.12 g/mol
LogP-0.01
Rot. Bonds1

About carbon dioxide;ethyl acetate

carbon dioxide;ethyl acetate (PubChem CID 86667926) has the molecular formula C5H8O4 and a molecular weight of 132.12 g/mol. Its IUPAC name is carbon dioxide;ethyl acetate.

Molecular Properties

Compound Namecarbon dioxide;ethyl acetate
PubChem CID86667926
Molecular FormulaC5H8O4
Molecular Weight132.12 g/mol
Exact Mass132.04
IUPAC Namecarbon dioxide;ethyl acetate
SMILESCCOC(C)=O.O=C=O
InChIInChI=1S/C4H8O2.CO2/c1-3-6-4(2)5;2-1-3/h3H2,1-2H3;
InChIKeyCNNJVIXHUHRLCP-UHFFFAOYSA-N
XLogP-0.01
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl acetate;dihydrochloride
CID 21477582
ethyl acetate;methanol
CID 173029748
ethyl acetate;methanol
CID 173278723
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;λ2-plumbane
CID 173068495
ethyl acetate;hydroiodide
CID 159926796
ethyl acetate;trihydrochloride
CID 141039771
ethyl acetate;pentahydrate
CID 173286699
ethyl acetate;octacontahydrate
CID 173010859
ethyl acetate;heptahydrate
CID 173010679
CID 157409555
CID 157409555

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;ethyl acetate?
The IUPAC name of carbon dioxide;ethyl acetate (CID 86667926) is carbon dioxide;ethyl acetate.
What is the SMILES notation for carbon dioxide;ethyl acetate?
The canonical SMILES for carbon dioxide;ethyl acetate is CCOC(C)=O.O=C=O.
What is the InChIKey of carbon dioxide;ethyl acetate?
The InChIKey is CNNJVIXHUHRLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.CO2/c1-3-6-4(2)5;2-1-3/h3H2,1-2H3;.
What are the key properties of carbon dioxide;ethyl acetate?
carbon dioxide;ethyl acetate has a molecular weight of 132.12 g/mol, XLogP of -0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;ethyl acetate is sourced from PubChem (CID 86667926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).