2-methoxyoxirane;2-methylprop-2-enoic acid;oxirane

C13H24O7 — CID 22733669

IUPAC2-methoxyoxirane;2-methylprop-2-enoic acid;oxirane
SMILESC1CO1.C1CO1.C1CO1.C=C(C)C(=O)O.COC1CO1
InChIInChI=1S/C4H6O2.C3H6O2.3C2H4O/c1-3(2)4(5)6;1-4-3-2-5-3;3*1-2-3-1/h1H2,2H3,(H,5,6);3H,2H2,1H3;3*1-2H2
InChIKeyBFBBCVAMBXFBIP-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.69
Rot. Bonds2

About 2-methoxyoxirane;2-methylprop-2-enoic acid;oxirane

2-methoxyoxirane;2-methylprop-2-enoic acid;oxirane (PubChem CID 22733669) has the molecular formula C13H24O7 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-methoxyoxirane;2-methylprop-2-enoic acid;oxirane.

Molecular Properties

Compound Name2-methoxyoxirane;2-methylprop-2-enoic acid;oxirane
PubChem CID22733669
Molecular FormulaC13H24O7
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name2-methoxyoxirane;2-methylprop-2-enoic acid;oxirane
SMILESC1CO1.C1CO1.C1CO1.C=C(C)C(=O)O.COC1CO1
InChIInChI=1S/C4H6O2.C3H6O2.3C2H4O/c1-3(2)4(5)6;1-4-3-2-5-3;3*1-2-3-1/h1H2,2H3,(H,5,6);3H,2H2,1H3;3*1-2H2
InChIKeyBFBBCVAMBXFBIP-UHFFFAOYSA-N
XLogP0.69
TPSA96.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methoxyoxirane;2-methylprop-2-enoic acid;oxirane 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-methoxyoxirane;2-methylprop-2-enoic acid;oxirane?
The IUPAC name of 2-methoxyoxirane;2-methylprop-2-enoic acid;oxirane (CID 22733669) is 2-methoxyoxirane;2-methylprop-2-enoic acid;oxirane.
What is the SMILES notation for 2-methoxyoxirane;2-methylprop-2-enoic acid;oxirane?
The canonical SMILES for 2-methoxyoxirane;2-methylprop-2-enoic acid;oxirane is C1CO1.C1CO1.C1CO1.C=C(C)C(=O)O.COC1CO1.
What is the InChIKey of 2-methoxyoxirane;2-methylprop-2-enoic acid;oxirane?
The InChIKey is BFBBCVAMBXFBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C3H6O2.3C2H4O/c1-3(2)4(5)6;1-4-3-2-5-3;3*1-2-3-1/h1H2,2H3,(H,5,6);3H,2H2,1H3;3*1-2H2.
What are the key properties of 2-methoxyoxirane;2-methylprop-2-enoic acid;oxirane?
2-methoxyoxirane;2-methylprop-2-enoic acid;oxirane has a molecular weight of 292.33 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyoxirane;2-methylprop-2-enoic acid;oxirane is sourced from PubChem (CID 22733669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).