2-methyloxirane;oxirane;oxiran-2-ylmethyl 2-methylprop-2-enoate

C12H20O5 — CID 18004045

IUPAC2-methyloxirane;oxirane;oxiran-2-ylmethyl 2-methylprop-2-enoate
SMILESC1CO1.C=C(C)C(=O)OCC1CO1.CC1CO1
InChIInChI=1S/C7H10O3.C3H6O.C2H4O/c1-5(2)7(8)10-4-6-3-9-6;1-3-2-4-3;1-2-3-1/h6H,1,3-4H2,2H3;3H,2H2,1H3;1-2H2
InChIKeyVNWFVYJFRPUXPG-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.93
Rot. Bonds3

About 2-methyloxirane;oxirane;oxiran-2-ylmethyl 2-methylprop-2-enoate

2-methyloxirane;oxirane;oxiran-2-ylmethyl 2-methylprop-2-enoate (PubChem CID 18004045) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-methyloxirane;oxirane;oxiran-2-ylmethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-methyloxirane;oxirane;oxiran-2-ylmethyl 2-methylprop-2-enoate
PubChem CID18004045
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name2-methyloxirane;oxirane;oxiran-2-ylmethyl 2-methylprop-2-enoate
SMILESC1CO1.C=C(C)C(=O)OCC1CO1.CC1CO1
InChIInChI=1S/C7H10O3.C3H6O.C2H4O/c1-5(2)7(8)10-4-6-3-9-6;1-3-2-4-3;1-2-3-1/h6H,1,3-4H2,2H3;3H,2H2,1H3;1-2H2
InChIKeyVNWFVYJFRPUXPG-UHFFFAOYSA-N
XLogP0.93
TPSA63.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methyloxirane;oxirane;oxiran-2-ylmethyl 2-methylprop-2-enoate 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-methyloxirane;oxirane;oxiran-2-ylmethyl 2-methylprop-2-enoate?
The IUPAC name of 2-methyloxirane;oxirane;oxiran-2-ylmethyl 2-methylprop-2-enoate (CID 18004045) is 2-methyloxirane;oxirane;oxiran-2-ylmethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-methyloxirane;oxirane;oxiran-2-ylmethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-methyloxirane;oxirane;oxiran-2-ylmethyl 2-methylprop-2-enoate is C1CO1.C=C(C)C(=O)OCC1CO1.CC1CO1.
What is the InChIKey of 2-methyloxirane;oxirane;oxiran-2-ylmethyl 2-methylprop-2-enoate?
The InChIKey is VNWFVYJFRPUXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3.C3H6O.C2H4O/c1-5(2)7(8)10-4-6-3-9-6;1-3-2-4-3;1-2-3-1/h6H,1,3-4H2,2H3;3H,2H2,1H3;1-2H2.
What are the key properties of 2-methyloxirane;oxirane;oxiran-2-ylmethyl 2-methylprop-2-enoate?
2-methyloxirane;oxirane;oxiran-2-ylmethyl 2-methylprop-2-enoate has a molecular weight of 244.29 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxirane;oxirane;oxiran-2-ylmethyl 2-methylprop-2-enoate is sourced from PubChem (CID 18004045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).