2-acetyloxyprop-2-enyl acetate

C7H10O4 — CID 12688263

IUPAC2-acetyloxyprop-2-enyl acetate
SMILESC=C(COC(C)=O)OC(C)=O
InChIInChI=1S/C7H10O4/c1-5(11-7(3)9)4-10-6(2)8/h1,4H2,2-3H3
InChIKeyYXYHAWBEWVTIDP-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.63
Rot. Bonds3

About 2-acetyloxyprop-2-enyl acetate

2-acetyloxyprop-2-enyl acetate (PubChem CID 12688263) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 2-acetyloxyprop-2-enyl acetate.

Molecular Properties

Compound Name2-acetyloxyprop-2-enyl acetate
PubChem CID12688263
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name2-acetyloxyprop-2-enyl acetate
SMILESC=C(COC(C)=O)OC(C)=O
InChIInChI=1S/C7H10O4/c1-5(11-7(3)9)4-10-6(2)8/h1,4H2,2-3H3
InChIKeyYXYHAWBEWVTIDP-UHFFFAOYSA-N
XLogP0.63
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-acetyloxyprop-2-enyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyprop-2-enyl acetate?
The IUPAC name of 2-acetyloxyprop-2-enyl acetate (CID 12688263) is 2-acetyloxyprop-2-enyl acetate.
What is the SMILES notation for 2-acetyloxyprop-2-enyl acetate?
The canonical SMILES for 2-acetyloxyprop-2-enyl acetate is C=C(COC(C)=O)OC(C)=O.
What is the InChIKey of 2-acetyloxyprop-2-enyl acetate?
The InChIKey is YXYHAWBEWVTIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-5(11-7(3)9)4-10-6(2)8/h1,4H2,2-3H3.
What are the key properties of 2-acetyloxyprop-2-enyl acetate?
2-acetyloxyprop-2-enyl acetate has a molecular weight of 158.15 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyprop-2-enyl acetate is sourced from PubChem (CID 12688263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).