ethyl 3-ethoxy-3-(3-methyloxiran-2-yl)propanoate

C10H18O4 — CID 12780412

IUPACethyl 3-ethoxy-3-(3-methyloxiran-2-yl)propanoate
SMILESCCOC(=O)CC(OCC)C1OC1C
InChIInChI=1S/C10H18O4/c1-4-12-8(10-7(3)14-10)6-9(11)13-5-2/h7-8,10H,4-6H2,1-3H3
InChIKeyUVGJHOXYLTUSCX-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.13
Rot. Bonds6

About ethyl 3-ethoxy-3-(3-methyloxiran-2-yl)propanoate

ethyl 3-ethoxy-3-(3-methyloxiran-2-yl)propanoate (PubChem CID 12780412) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 3-ethoxy-3-(3-methyloxiran-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-ethoxy-3-(3-methyloxiran-2-yl)propanoate
PubChem CID12780412
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethyl 3-ethoxy-3-(3-methyloxiran-2-yl)propanoate
SMILESCCOC(=O)CC(OCC)C1OC1C
InChIInChI=1S/C10H18O4/c1-4-12-8(10-7(3)14-10)6-9(11)13-5-2/h7-8,10H,4-6H2,1-3H3
InChIKeyUVGJHOXYLTUSCX-UHFFFAOYSA-N
XLogP1.13
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 3-ethoxy-3-(3-methyloxiran-2-yl)propanoate 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 ethyl 3-ethoxy-3-(3-methyloxiran-2-yl)propanoate?
The IUPAC name of ethyl 3-ethoxy-3-(3-methyloxiran-2-yl)propanoate (CID 12780412) is ethyl 3-ethoxy-3-(3-methyloxiran-2-yl)propanoate.
What is the SMILES notation for ethyl 3-ethoxy-3-(3-methyloxiran-2-yl)propanoate?
The canonical SMILES for ethyl 3-ethoxy-3-(3-methyloxiran-2-yl)propanoate is CCOC(=O)CC(OCC)C1OC1C.
What is the InChIKey of ethyl 3-ethoxy-3-(3-methyloxiran-2-yl)propanoate?
The InChIKey is UVGJHOXYLTUSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-12-8(10-7(3)14-10)6-9(11)13-5-2/h7-8,10H,4-6H2,1-3H3.
What are the key properties of ethyl 3-ethoxy-3-(3-methyloxiran-2-yl)propanoate?
ethyl 3-ethoxy-3-(3-methyloxiran-2-yl)propanoate has a molecular weight of 202.25 g/mol, XLogP of 1.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethoxy-3-(3-methyloxiran-2-yl)propanoate is sourced from PubChem (CID 12780412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).