[2-(oxiran-2-ylmethoxy)-2-oxoethyl] 2-methylpropanoate

C9H14O5 — CID 134285618

IUPAC[2-(oxiran-2-ylmethoxy)-2-oxoethyl] 2-methylpropanoate
SMILESCC(C)C(=O)OCC(=O)OCC1CO1
InChIInChI=1S/C9H14O5/c1-6(2)9(11)14-5-8(10)13-4-7-3-12-7/h6-7H,3-5H2,1-2H3
InChIKeyFUVSEPQRRRJHAP-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.13
Rot. Bonds5

About [2-(oxiran-2-ylmethoxy)-2-oxoethyl] 2-methylpropanoate

[2-(oxiran-2-ylmethoxy)-2-oxoethyl] 2-methylpropanoate (PubChem CID 134285618) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is [2-(oxiran-2-ylmethoxy)-2-oxoethyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-(oxiran-2-ylmethoxy)-2-oxoethyl] 2-methylpropanoate
PubChem CID134285618
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Name[2-(oxiran-2-ylmethoxy)-2-oxoethyl] 2-methylpropanoate
SMILESCC(C)C(=O)OCC(=O)OCC1CO1
InChIInChI=1S/C9H14O5/c1-6(2)9(11)14-5-8(10)13-4-7-3-12-7/h6-7H,3-5H2,1-2H3
InChIKeyFUVSEPQRRRJHAP-UHFFFAOYSA-N
XLogP0.13
TPSA65.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(oxiran-2-ylmethoxy)-2-oxoethyl] 2-methylpropanoate 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

2-methylpropanoic acid;oxiran-2-ylmethyl 2-methylpropanoate
CID 161434181
oxiran-2-ylmethyl 2-(oxiran-2-yl)acetate
CID 22381567
bis(oxiran-2-ylmethyl) carbonate
CID 13170402
oxiran-2-ylmethyl N-propan-2-ylcarbamate
CID 19812627
bis(oxiran-2-ylmethyl) 2-ethylpropanedioate
CID 141095093
oxiran-2-ylmethyl 2-[2-(oxiran-2-ylmethoxy)-2-oxoethyl]sulfonylacetate
CID 156636382
oxiran-2-ylmethyl 3-acetyloxypropanoate
CID 21339917
(2-methoxy-2-oxoethyl) 2-methylpropanoate
CID 18740014
oxiran-2-ylmethyl 2-[3,5,7-tris[2-(oxiran-2-ylmethoxy)-2-oxoethyl]-1-adamantyl]acetate
CID 87387868
oxiran-2-ylmethyl 3-(oxiran-2-ylmethoxy)propanoate
CID 6454894
oxiran-2-ylmethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecadeuteriodecanoate
CID 169441031
[(2S)-oxiran-2-yl]methyl 2,2-dimethylpropanoate
CID 11768834

Frequently Asked Questions

What is the IUPAC name of [2-(oxiran-2-ylmethoxy)-2-oxoethyl] 2-methylpropanoate?
The IUPAC name of [2-(oxiran-2-ylmethoxy)-2-oxoethyl] 2-methylpropanoate (CID 134285618) is [2-(oxiran-2-ylmethoxy)-2-oxoethyl] 2-methylpropanoate.
What is the SMILES notation for [2-(oxiran-2-ylmethoxy)-2-oxoethyl] 2-methylpropanoate?
The canonical SMILES for [2-(oxiran-2-ylmethoxy)-2-oxoethyl] 2-methylpropanoate is CC(C)C(=O)OCC(=O)OCC1CO1.
What is the InChIKey of [2-(oxiran-2-ylmethoxy)-2-oxoethyl] 2-methylpropanoate?
The InChIKey is FUVSEPQRRRJHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O5/c1-6(2)9(11)14-5-8(10)13-4-7-3-12-7/h6-7H,3-5H2,1-2H3.
What are the key properties of [2-(oxiran-2-ylmethoxy)-2-oxoethyl] 2-methylpropanoate?
[2-(oxiran-2-ylmethoxy)-2-oxoethyl] 2-methylpropanoate has a molecular weight of 202.21 g/mol, XLogP of 0.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxiran-2-ylmethoxy)-2-oxoethyl] 2-methylpropanoate is sourced from PubChem (CID 134285618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).