prop-2-enyl 2-acetyloxyacetate

C7H10O4 — CID 13096285

IUPACprop-2-enyl 2-acetyloxyacetate
SMILESC=CCOC(=O)COC(C)=O
InChIInChI=1S/C7H10O4/c1-3-4-10-7(9)5-11-6(2)8/h3H,1,4-5H2,2H3
InChIKeyVJJFQNDCUCNOER-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.28
Rot. Bonds4

About prop-2-enyl 2-acetyloxyacetate

prop-2-enyl 2-acetyloxyacetate (PubChem CID 13096285) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is prop-2-enyl 2-acetyloxyacetate.

Molecular Properties

Compound Nameprop-2-enyl 2-acetyloxyacetate
PubChem CID13096285
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Nameprop-2-enyl 2-acetyloxyacetate
SMILESC=CCOC(=O)COC(C)=O
InChIInChI=1S/C7H10O4/c1-3-4-10-7(9)5-11-6(2)8/h3H,1,4-5H2,2H3
InChIKeyVJJFQNDCUCNOER-UHFFFAOYSA-N
XLogP0.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-acetyloxyacetate?
The IUPAC name of prop-2-enyl 2-acetyloxyacetate (CID 13096285) is prop-2-enyl 2-acetyloxyacetate.
What is the SMILES notation for prop-2-enyl 2-acetyloxyacetate?
The canonical SMILES for prop-2-enyl 2-acetyloxyacetate is C=CCOC(=O)COC(C)=O.
What is the InChIKey of prop-2-enyl 2-acetyloxyacetate?
The InChIKey is VJJFQNDCUCNOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-3-4-10-7(9)5-11-6(2)8/h3H,1,4-5H2,2H3.
What are the key properties of prop-2-enyl 2-acetyloxyacetate?
prop-2-enyl 2-acetyloxyacetate has a molecular weight of 158.15 g/mol, XLogP of 0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-acetyloxyacetate is sourced from PubChem (CID 13096285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).