oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enyl cyclobutene-1-carboxylate

C15H20O5 — CID 87111260

IUPACoxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enyl cyclobutene-1-carboxylate
SMILESC=C(C)C(=O)OCC1CO1.C=CCOC(=O)C1=CCC1
InChIInChI=1S/C8H10O2.C7H10O3/c1-2-6-10-8(9)7-4-3-5-7;1-5(2)7(8)10-4-6-3-9-6/h2,4H,1,3,5-6H2;6H,1,3-4H2,2H3
InChIKeyILTKEHFAGSCEAT-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.94
Rot. Bonds6

About oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enyl cyclobutene-1-carboxylate

oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enyl cyclobutene-1-carboxylate (PubChem CID 87111260) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enyl cyclobutene-1-carboxylate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enyl cyclobutene-1-carboxylate
PubChem CID87111260
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Nameoxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enyl cyclobutene-1-carboxylate
SMILESC=C(C)C(=O)OCC1CO1.C=CCOC(=O)C1=CCC1
InChIInChI=1S/C8H10O2.C7H10O3/c1-2-6-10-8(9)7-4-3-5-7;1-5(2)7(8)10-4-6-3-9-6/h2,4H,1,3,5-6H2;6H,1,3-4H2,2H3
InChIKeyILTKEHFAGSCEAT-UHFFFAOYSA-N
XLogP1.94
TPSA65.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enyl cyclobutene-1-carboxylate 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 2-methylprop-2-enoate;prop-2-enyl cyclobutene-1-carboxylate?
The IUPAC name of oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enyl cyclobutene-1-carboxylate (CID 87111260) is oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enyl cyclobutene-1-carboxylate.
What is the SMILES notation for oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enyl cyclobutene-1-carboxylate?
The canonical SMILES for oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enyl cyclobutene-1-carboxylate is C=C(C)C(=O)OCC1CO1.C=CCOC(=O)C1=CCC1.
What is the InChIKey of oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enyl cyclobutene-1-carboxylate?
The InChIKey is ILTKEHFAGSCEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.C7H10O3/c1-2-6-10-8(9)7-4-3-5-7;1-5(2)7(8)10-4-6-3-9-6/h2,4H,1,3,5-6H2;6H,1,3-4H2,2H3.
What are the key properties of oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enyl cyclobutene-1-carboxylate?
oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enyl cyclobutene-1-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enyl cyclobutene-1-carboxylate is sourced from PubChem (CID 87111260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).