oxiran-2-ylmethyl prop-2-enyl carbonate

C7H10O4 — CID 6612777

IUPACoxiran-2-ylmethyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCC1CO1
InChIInChI=1S/C7H10O4/c1-2-3-9-7(8)11-5-6-4-10-6/h2,6H,1,3-5H2
InChIKeyWEVYNWIJRMVEMS-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.72
Rot. Bonds4

About oxiran-2-ylmethyl prop-2-enyl carbonate

oxiran-2-ylmethyl prop-2-enyl carbonate (PubChem CID 6612777) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is oxiran-2-ylmethyl prop-2-enyl carbonate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl prop-2-enyl carbonate
PubChem CID6612777
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Nameoxiran-2-ylmethyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCC1CO1
InChIInChI=1S/C7H10O4/c1-2-3-9-7(8)11-5-6-4-10-6/h2,6H,1,3-5H2
InChIKeyWEVYNWIJRMVEMS-UHFFFAOYSA-N
XLogP0.72
TPSA48.06 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 ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze oxiran-2-ylmethyl prop-2-enyl carbonate 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 oxiran-2-ylmethyl prop-2-enyl carbonate?
The IUPAC name of oxiran-2-ylmethyl prop-2-enyl carbonate (CID 6612777) is oxiran-2-ylmethyl prop-2-enyl carbonate.
What is the SMILES notation for oxiran-2-ylmethyl prop-2-enyl carbonate?
The canonical SMILES for oxiran-2-ylmethyl prop-2-enyl carbonate is C=CCOC(=O)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl prop-2-enyl carbonate?
The InChIKey is WEVYNWIJRMVEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-2-3-9-7(8)11-5-6-4-10-6/h2,6H,1,3-5H2.
What are the key properties of oxiran-2-ylmethyl prop-2-enyl carbonate?
oxiran-2-ylmethyl prop-2-enyl carbonate has a molecular weight of 158.15 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl prop-2-enyl carbonate is sourced from PubChem (CID 6612777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).