2-(2-ethoxy-3-methoxypropyl)oxirane

C8H16O3 — CID 54052683

IUPAC2-(2-ethoxy-3-methoxypropyl)oxirane
SMILESCCOC(COC)CC1CO1
InChIInChI=1S/C8H16O3/c1-3-10-7(5-9-2)4-8-6-11-8/h7-8H,3-6H2,1-2H3
InChIKeyLUAJMPFAGYGHCN-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.83
Rot. Bonds6

About 2-(2-ethoxy-3-methoxypropyl)oxirane

2-(2-ethoxy-3-methoxypropyl)oxirane (PubChem CID 54052683) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-(2-ethoxy-3-methoxypropyl)oxirane.

Molecular Properties

Compound Name2-(2-ethoxy-3-methoxypropyl)oxirane
PubChem CID54052683
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-(2-ethoxy-3-methoxypropyl)oxirane
SMILESCCOC(COC)CC1CO1
InChIInChI=1S/C8H16O3/c1-3-10-7(5-9-2)4-8-6-11-8/h7-8H,3-6H2,1-2H3
InChIKeyLUAJMPFAGYGHCN-UHFFFAOYSA-N
XLogP0.83
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-ethoxy-3-methoxypropyl)oxirane 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-(2-ethoxy-3-methoxypropyl)oxirane?
The IUPAC name of 2-(2-ethoxy-3-methoxypropyl)oxirane (CID 54052683) is 2-(2-ethoxy-3-methoxypropyl)oxirane.
What is the SMILES notation for 2-(2-ethoxy-3-methoxypropyl)oxirane?
The canonical SMILES for 2-(2-ethoxy-3-methoxypropyl)oxirane is CCOC(COC)CC1CO1.
What is the InChIKey of 2-(2-ethoxy-3-methoxypropyl)oxirane?
The InChIKey is LUAJMPFAGYGHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-10-7(5-9-2)4-8-6-11-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(2-ethoxy-3-methoxypropyl)oxirane?
2-(2-ethoxy-3-methoxypropyl)oxirane has a molecular weight of 160.21 g/mol, XLogP of 0.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-3-methoxypropyl)oxirane is sourced from PubChem (CID 54052683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).