1-O-ethyl 2-O-prop-2-enyl oxalate

C7H10O4 — CID 6420225

IUPAC1-O-ethyl 2-O-prop-2-enyl oxalate
SMILESC=CCOC(=O)C(=O)OCC
InChIInChI=1S/C7H10O4/c1-3-5-11-7(9)6(8)10-4-2/h3H,1,4-5H2,2H3
InChIKeyGZCVPLNGHFUISY-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.28
Rot. Bonds3

About 1-O-ethyl 2-O-prop-2-enyl oxalate

1-O-ethyl 2-O-prop-2-enyl oxalate (PubChem CID 6420225) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 1-O-ethyl 2-O-prop-2-enyl oxalate.

Molecular Properties

Compound Name1-O-ethyl 2-O-prop-2-enyl oxalate
PubChem CID6420225
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name1-O-ethyl 2-O-prop-2-enyl oxalate
SMILESC=CCOC(=O)C(=O)OCC
InChIInChI=1S/C7H10O4/c1-3-5-11-7(9)6(8)10-4-2/h3H,1,4-5H2,2H3
InChIKeyGZCVPLNGHFUISY-UHFFFAOYSA-N
XLogP0.28
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 ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-O-ethyl 2-O-prop-2-enyl oxalate 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 1-O-ethyl 2-O-prop-2-enyl oxalate?
The IUPAC name of 1-O-ethyl 2-O-prop-2-enyl oxalate (CID 6420225) is 1-O-ethyl 2-O-prop-2-enyl oxalate.
What is the SMILES notation for 1-O-ethyl 2-O-prop-2-enyl oxalate?
The canonical SMILES for 1-O-ethyl 2-O-prop-2-enyl oxalate is C=CCOC(=O)C(=O)OCC.
What is the InChIKey of 1-O-ethyl 2-O-prop-2-enyl oxalate?
The InChIKey is GZCVPLNGHFUISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-3-5-11-7(9)6(8)10-4-2/h3H,1,4-5H2,2H3.
What are the key properties of 1-O-ethyl 2-O-prop-2-enyl oxalate?
1-O-ethyl 2-O-prop-2-enyl oxalate has a molecular weight of 158.15 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 2-O-prop-2-enyl oxalate is sourced from PubChem (CID 6420225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).