(2-prop-2-enyloxiran-2-yl)methyl 2-methylprop-2-enoate

C10H14O3 — CID 88734900

IUPAC(2-prop-2-enyloxiran-2-yl)methyl 2-methylprop-2-enoate
SMILESC=CCC1(COC(=O)C(=C)C)CO1
InChIInChI=1S/C10H14O3/c1-4-5-10(7-13-10)6-12-9(11)8(2)3/h4H,1-2,5-7H2,3H3
InChIKeyBXXWAKDCRDYZDE-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.45
Rot. Bonds5

About (2-prop-2-enyloxiran-2-yl)methyl 2-methylprop-2-enoate

(2-prop-2-enyloxiran-2-yl)methyl 2-methylprop-2-enoate (PubChem CID 88734900) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2-prop-2-enyloxiran-2-yl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-prop-2-enyloxiran-2-yl)methyl 2-methylprop-2-enoate
PubChem CID88734900
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(2-prop-2-enyloxiran-2-yl)methyl 2-methylprop-2-enoate
SMILESC=CCC1(COC(=O)C(=C)C)CO1
InChIInChI=1S/C10H14O3/c1-4-5-10(7-13-10)6-12-9(11)8(2)3/h4H,1-2,5-7H2,3H3
InChIKeyBXXWAKDCRDYZDE-UHFFFAOYSA-N
XLogP1.45
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (2-prop-2-enyloxiran-2-yl)methyl 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-prop-2-enyloxiran-2-yl)methyl 2-methylprop-2-enoate?
The IUPAC name of (2-prop-2-enyloxiran-2-yl)methyl 2-methylprop-2-enoate (CID 88734900) is (2-prop-2-enyloxiran-2-yl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (2-prop-2-enyloxiran-2-yl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (2-prop-2-enyloxiran-2-yl)methyl 2-methylprop-2-enoate is C=CCC1(COC(=O)C(=C)C)CO1.
What is the InChIKey of (2-prop-2-enyloxiran-2-yl)methyl 2-methylprop-2-enoate?
The InChIKey is BXXWAKDCRDYZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-4-5-10(7-13-10)6-12-9(11)8(2)3/h4H,1-2,5-7H2,3H3.
What are the key properties of (2-prop-2-enyloxiran-2-yl)methyl 2-methylprop-2-enoate?
(2-prop-2-enyloxiran-2-yl)methyl 2-methylprop-2-enoate has a molecular weight of 182.22 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-prop-2-enyloxiran-2-yl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 88734900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).