2-hydroxyethyl acetate

C4H8O3 — CID 10960

IUPAC2-hydroxyethyl acetate
SMILESCC(=O)OCCO
InChIInChI=1S/C4H8O3/c1-4(6)7-3-2-5/h5H,2-3H2,1H3
InChIKeyHXDLWJWIAHWIKI-UHFFFAOYSA-N
MW104.11 g/mol
LogP-0.46
Rot. Bonds2

About 2-hydroxyethyl acetate

2-hydroxyethyl acetate (PubChem CID 10960) has the molecular formula C4H8O3 and a molecular weight of 104.11 g/mol. Its IUPAC name is 2-hydroxyethyl acetate.

Molecular Properties

Compound Name2-hydroxyethyl acetate
PubChem CID10960
Molecular FormulaC4H8O3
Molecular Weight104.11 g/mol
Exact Mass104.05
IUPAC Name2-hydroxyethyl acetate
SMILESCC(=O)OCCO
InChIInChI=1S/C4H8O3/c1-4(6)7-3-2-5/h5H,2-3H2,1H3
InChIKeyHXDLWJWIAHWIKI-UHFFFAOYSA-N
XLogP-0.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl acetate?
The IUPAC name of 2-hydroxyethyl acetate (CID 10960) is 2-hydroxyethyl acetate.
What is the SMILES notation for 2-hydroxyethyl acetate?
The canonical SMILES for 2-hydroxyethyl acetate is CC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl acetate?
The InChIKey is HXDLWJWIAHWIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3/c1-4(6)7-3-2-5/h5H,2-3H2,1H3.
What are the key properties of 2-hydroxyethyl acetate?
2-hydroxyethyl acetate has a molecular weight of 104.11 g/mol, XLogP of -0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl acetate is sourced from PubChem (CID 10960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).