2-(4-ethenoxyoctoxymethyl)oxirane

C13H24O3 — CID 175156365

IUPAC2-(4-ethenoxyoctoxymethyl)oxirane
SMILESC=COC(CCCC)CCCOCC1CO1
InChIInChI=1S/C13H24O3/c1-3-5-7-12(15-4-2)8-6-9-14-10-13-11-16-13/h4,12-13H,2-3,5-11H2,1H3
InChIKeyRLIMCASSBCLUOW-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.90
Rot. Bonds11

About 2-(4-ethenoxyoctoxymethyl)oxirane

2-(4-ethenoxyoctoxymethyl)oxirane (PubChem CID 175156365) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-(4-ethenoxyoctoxymethyl)oxirane.

Molecular Properties

Compound Name2-(4-ethenoxyoctoxymethyl)oxirane
PubChem CID175156365
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name2-(4-ethenoxyoctoxymethyl)oxirane
SMILESC=COC(CCCC)CCCOCC1CO1
InChIInChI=1S/C13H24O3/c1-3-5-7-12(15-4-2)8-6-9-14-10-13-11-16-13/h4,12-13H,2-3,5-11H2,1H3
InChIKeyRLIMCASSBCLUOW-UHFFFAOYSA-N
XLogP2.90
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.90
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-(4-ethenoxyoctoxymethyl)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-(4-ethenoxyoctoxymethyl)oxirane?
The IUPAC name of 2-(4-ethenoxyoctoxymethyl)oxirane (CID 175156365) is 2-(4-ethenoxyoctoxymethyl)oxirane.
What is the SMILES notation for 2-(4-ethenoxyoctoxymethyl)oxirane?
The canonical SMILES for 2-(4-ethenoxyoctoxymethyl)oxirane is C=COC(CCCC)CCCOCC1CO1.
What is the InChIKey of 2-(4-ethenoxyoctoxymethyl)oxirane?
The InChIKey is RLIMCASSBCLUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-3-5-7-12(15-4-2)8-6-9-14-10-13-11-16-13/h4,12-13H,2-3,5-11H2,1H3.
What are the key properties of 2-(4-ethenoxyoctoxymethyl)oxirane?
2-(4-ethenoxyoctoxymethyl)oxirane has a molecular weight of 228.33 g/mol, XLogP of 2.90, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenoxyoctoxymethyl)oxirane is sourced from PubChem (CID 175156365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).