[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate

C7H10O3 — CID 904806

IUPAC[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC[C@H]1CO1
InChIInChI=1S/C7H10O3/c1-5(2)7(8)10-4-6-3-9-6/h6H,1,3-4H2,2H3/t6-/m1/s1
InChIKeyVOZRXNHHFUQHIL-ZCFIWIBFSA-N
MW142.15 g/mol
LogP0.50
Rot. Bonds3

About [(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate

[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate (PubChem CID 904806) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is [(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
PubChem CID904806
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC[C@H]1CO1
InChIInChI=1S/C7H10O3/c1-5(2)7(8)10-4-6-3-9-6/h6H,1,3-4H2,2H3/t6-/m1/s1
InChIKeyVOZRXNHHFUQHIL-ZCFIWIBFSA-N
XLogP0.50
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.50
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 [(2R)-oxiran-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

Related Compounds

methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031
oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane
CID 174970981
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
ethyl acetate;methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 174820350
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 [(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate?
The IUPAC name of [(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate (CID 904806) is [(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC[C@H]1CO1.
What is the InChIKey of [(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate?
The InChIKey is VOZRXNHHFUQHIL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H10O3/c1-5(2)7(8)10-4-6-3-9-6/h6H,1,3-4H2,2H3/t6-/m1/s1.
What are the key properties of [(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate?
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate has a molecular weight of 142.15 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 904806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).