methane;oxiran-2-ylmethyl 2-methylprop-2-enoate

C8H14O3 — CID 87151920

IUPACmethane;oxiran-2-ylmethyl 2-methylprop-2-enoate
SMILESC.C=C(C)C(=O)OCC1CO1
InChIInChI=1S/C7H10O3.CH4/c1-5(2)7(8)10-4-6-3-9-6;/h6H,1,3-4H2,2H3;1H4
InChIKeySRENDDYHBOWWHJ-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.14
Rot. Bonds3

About methane;oxiran-2-ylmethyl 2-methylprop-2-enoate

methane;oxiran-2-ylmethyl 2-methylprop-2-enoate (PubChem CID 87151920) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is methane;oxiran-2-ylmethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namemethane;oxiran-2-ylmethyl 2-methylprop-2-enoate
PubChem CID87151920
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namemethane;oxiran-2-ylmethyl 2-methylprop-2-enoate
SMILESC.C=C(C)C(=O)OCC1CO1
InChIInChI=1S/C7H10O3.CH4/c1-5(2)7(8)10-4-6-3-9-6;/h6H,1,3-4H2,2H3;1H4
InChIKeySRENDDYHBOWWHJ-UHFFFAOYSA-N
XLogP1.14
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methane;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

Related Compounds

[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031
oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane
CID 174970981
ethyl acetate;methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 174820350
4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87727049
2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate;phosphoric acid
CID 175461208
2-methylprop-2-enenitrile;oxiran-2-ylmethyl 2-methylprop-2-enoate;hydrate
CID 174885519
3-methylbut-2-enamide;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 158470137
but-3-enoic acid;ethene;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 175778855
2-hydroxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 86750009
N-(hydroxymethyl)prop-2-enamide;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 158465618
oxiran-2-ylmethyl 2-methylprop-2-enoate;phenylmethanamine
CID 175327746

Frequently Asked Questions

What is the IUPAC name of methane;oxiran-2-ylmethyl 2-methylprop-2-enoate?
The IUPAC name of methane;oxiran-2-ylmethyl 2-methylprop-2-enoate (CID 87151920) is methane;oxiran-2-ylmethyl 2-methylprop-2-enoate.
What is the SMILES notation for methane;oxiran-2-ylmethyl 2-methylprop-2-enoate?
The canonical SMILES for methane;oxiran-2-ylmethyl 2-methylprop-2-enoate is C.C=C(C)C(=O)OCC1CO1.
What is the InChIKey of methane;oxiran-2-ylmethyl 2-methylprop-2-enoate?
The InChIKey is SRENDDYHBOWWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3.CH4/c1-5(2)7(8)10-4-6-3-9-6;/h6H,1,3-4H2,2H3;1H4.
What are the key properties of methane;oxiran-2-ylmethyl 2-methylprop-2-enoate?
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate has a molecular weight of 158.20 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;oxiran-2-ylmethyl 2-methylprop-2-enoate is sourced from PubChem (CID 87151920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).