2-acetyloxyethyl acetate

C6H10O4 — CID 8121

IUPAC2-acetyloxyethyl acetate
SMILESCC(=O)OCCOC(C)=O
InChIInChI=1S/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3
InChIKeyJTXMVXSTHSMVQF-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.11
Rot. Bonds3

About 2-acetyloxyethyl acetate

2-acetyloxyethyl acetate (PubChem CID 8121) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 2-acetyloxyethyl acetate.

Molecular Properties

Compound Name2-acetyloxyethyl acetate
PubChem CID8121
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name2-acetyloxyethyl acetate
SMILESCC(=O)OCCOC(C)=O
InChIInChI=1S/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3
InChIKeyJTXMVXSTHSMVQF-UHFFFAOYSA-N
XLogP0.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyethyl acetate?
The IUPAC name of 2-acetyloxyethyl acetate (CID 8121) is 2-acetyloxyethyl acetate.
What is the SMILES notation for 2-acetyloxyethyl acetate?
The canonical SMILES for 2-acetyloxyethyl acetate is CC(=O)OCCOC(C)=O.
What is the InChIKey of 2-acetyloxyethyl acetate?
The InChIKey is JTXMVXSTHSMVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3.
What are the key properties of 2-acetyloxyethyl acetate?
2-acetyloxyethyl acetate has a molecular weight of 146.14 g/mol, XLogP of 0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyethyl acetate is sourced from PubChem (CID 8121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).