2-(3-ethenoxypropoxymethyl)oxirane

C8H14O3 — CID 14093184

IUPAC2-(3-ethenoxypropoxymethyl)oxirane
SMILESC=COCCCOCC1CO1
InChIInChI=1S/C8H14O3/c1-2-9-4-3-5-10-6-8-7-11-8/h2,8H,1,3-7H2
InChIKeyOHEYPHNZPIEIPL-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.95
Rot. Bonds7

About 2-(3-ethenoxypropoxymethyl)oxirane

2-(3-ethenoxypropoxymethyl)oxirane (PubChem CID 14093184) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(3-ethenoxypropoxymethyl)oxirane.

Molecular Properties

Compound Name2-(3-ethenoxypropoxymethyl)oxirane
PubChem CID14093184
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-(3-ethenoxypropoxymethyl)oxirane
SMILESC=COCCCOCC1CO1
InChIInChI=1S/C8H14O3/c1-2-9-4-3-5-10-6-8-7-11-8/h2,8H,1,3-7H2
InChIKeyOHEYPHNZPIEIPL-UHFFFAOYSA-N
XLogP0.95
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-(3-ethenoxypropoxymethyl)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-(3-ethenoxypropoxymethyl)oxirane?
The IUPAC name of 2-(3-ethenoxypropoxymethyl)oxirane (CID 14093184) is 2-(3-ethenoxypropoxymethyl)oxirane.
What is the SMILES notation for 2-(3-ethenoxypropoxymethyl)oxirane?
The canonical SMILES for 2-(3-ethenoxypropoxymethyl)oxirane is C=COCCCOCC1CO1.
What is the InChIKey of 2-(3-ethenoxypropoxymethyl)oxirane?
The InChIKey is OHEYPHNZPIEIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-9-4-3-5-10-6-8-7-11-8/h2,8H,1,3-7H2.
What are the key properties of 2-(3-ethenoxypropoxymethyl)oxirane?
2-(3-ethenoxypropoxymethyl)oxirane has a molecular weight of 158.20 g/mol, XLogP of 0.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenoxypropoxymethyl)oxirane is sourced from PubChem (CID 14093184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).