2-(2-propylpentoxymethyl)oxirane

C11H22O2 — CID 23363524

IUPAC2-(2-propylpentoxymethyl)oxirane
SMILESCCCC(CCC)COCC1CO1
InChIInChI=1S/C11H22O2/c1-3-5-10(6-4-2)7-12-8-11-9-13-11/h10-11H,3-9H2,1-2H3
InChIKeyWZVQPTGXFFLMEB-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.62
Rot. Bonds8

About 2-(2-propylpentoxymethyl)oxirane

2-(2-propylpentoxymethyl)oxirane (PubChem CID 23363524) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-(2-propylpentoxymethyl)oxirane.

Molecular Properties

Compound Name2-(2-propylpentoxymethyl)oxirane
PubChem CID23363524
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-(2-propylpentoxymethyl)oxirane
SMILESCCCC(CCC)COCC1CO1
InChIInChI=1S/C11H22O2/c1-3-5-10(6-4-2)7-12-8-11-9-13-11/h10-11H,3-9H2,1-2H3
InChIKeyWZVQPTGXFFLMEB-UHFFFAOYSA-N
XLogP2.62
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-propylpentoxymethyl)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-propylpentoxymethyl)oxirane?
The IUPAC name of 2-(2-propylpentoxymethyl)oxirane (CID 23363524) is 2-(2-propylpentoxymethyl)oxirane.
What is the SMILES notation for 2-(2-propylpentoxymethyl)oxirane?
The canonical SMILES for 2-(2-propylpentoxymethyl)oxirane is CCCC(CCC)COCC1CO1.
What is the InChIKey of 2-(2-propylpentoxymethyl)oxirane?
The InChIKey is WZVQPTGXFFLMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-5-10(6-4-2)7-12-8-11-9-13-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-(2-propylpentoxymethyl)oxirane?
2-(2-propylpentoxymethyl)oxirane has a molecular weight of 186.29 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylpentoxymethyl)oxirane is sourced from PubChem (CID 23363524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).