2-(pentan-2-yloxymethyl)oxirane

C8H16O2 — CID 57224624

IUPAC2-(pentan-2-yloxymethyl)oxirane
SMILESCCCC(C)OCC1CO1
InChIInChI=1S/C8H16O2/c1-3-4-7(2)9-5-8-6-10-8/h7-8H,3-6H2,1-2H3
InChIKeyQGJIHMFIXIWYAY-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.59
Rot. Bonds5

About 2-(pentan-2-yloxymethyl)oxirane

2-(pentan-2-yloxymethyl)oxirane (PubChem CID 57224624) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-(pentan-2-yloxymethyl)oxirane.

Molecular Properties

Compound Name2-(pentan-2-yloxymethyl)oxirane
PubChem CID57224624
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-(pentan-2-yloxymethyl)oxirane
SMILESCCCC(C)OCC1CO1
InChIInChI=1S/C8H16O2/c1-3-4-7(2)9-5-8-6-10-8/h7-8H,3-6H2,1-2H3
InChIKeyQGJIHMFIXIWYAY-UHFFFAOYSA-N
XLogP1.59
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(pentan-2-yloxymethyl)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-(pentan-2-yloxymethyl)oxirane?
The IUPAC name of 2-(pentan-2-yloxymethyl)oxirane (CID 57224624) is 2-(pentan-2-yloxymethyl)oxirane.
What is the SMILES notation for 2-(pentan-2-yloxymethyl)oxirane?
The canonical SMILES for 2-(pentan-2-yloxymethyl)oxirane is CCCC(C)OCC1CO1.
What is the InChIKey of 2-(pentan-2-yloxymethyl)oxirane?
The InChIKey is QGJIHMFIXIWYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-4-7(2)9-5-8-6-10-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(pentan-2-yloxymethyl)oxirane?
2-(pentan-2-yloxymethyl)oxirane has a molecular weight of 144.21 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentan-2-yloxymethyl)oxirane is sourced from PubChem (CID 57224624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).