ethyl acetate

C4H8O2 — CID 8857

IUPACethyl acetate
SMILESCCOC(C)=O
InChIInChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
InChIKeyXEKOWRVHYACXOJ-UHFFFAOYSA-N
MW88.11 g/mol
LogP0.57
Rot. Bonds1

About ethyl acetate

ethyl acetate (PubChem CID 8857) has the molecular formula C4H8O2 and a molecular weight of 88.11 g/mol. Its IUPAC name is ethyl acetate.

Molecular Properties

Compound Nameethyl acetate
PubChem CID8857
Molecular FormulaC4H8O2
Molecular Weight88.11 g/mol
Exact Mass88.05
IUPAC Nameethyl acetate
SMILESCCOC(C)=O
InChIInChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
InChIKeyXEKOWRVHYACXOJ-UHFFFAOYSA-N
XLogP0.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl acetate?
The IUPAC name of ethyl acetate (CID 8857) is ethyl acetate.
What is the SMILES notation for ethyl acetate?
The canonical SMILES for ethyl acetate is CCOC(C)=O.
What is the InChIKey of ethyl acetate?
The InChIKey is XEKOWRVHYACXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3.
What are the key properties of ethyl acetate?
ethyl acetate has a molecular weight of 88.11 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate is sourced from PubChem (CID 8857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).