2-(2,4-dimethylpentyl)oxirane

C9H18O — CID 14618591

IUPAC2-(2,4-dimethylpentyl)oxirane
SMILESCC(C)CC(C)CC1CO1
InChIInChI=1S/C9H18O/c1-7(2)4-8(3)5-9-6-10-9/h7-9H,4-6H2,1-3H3
InChIKeyKARQHOSADNHZBP-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.46
Rot. Bonds4

About 2-(2,4-dimethylpentyl)oxirane

2-(2,4-dimethylpentyl)oxirane (PubChem CID 14618591) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-(2,4-dimethylpentyl)oxirane.

Molecular Properties

Compound Name2-(2,4-dimethylpentyl)oxirane
PubChem CID14618591
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-(2,4-dimethylpentyl)oxirane
SMILESCC(C)CC(C)CC1CO1
InChIInChI=1S/C9H18O/c1-7(2)4-8(3)5-9-6-10-9/h7-9H,4-6H2,1-3H3
InChIKeyKARQHOSADNHZBP-UHFFFAOYSA-N
XLogP2.46
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2,4-dimethylpentyl)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-(2,4-dimethylpentyl)oxirane?
The IUPAC name of 2-(2,4-dimethylpentyl)oxirane (CID 14618591) is 2-(2,4-dimethylpentyl)oxirane.
What is the SMILES notation for 2-(2,4-dimethylpentyl)oxirane?
The canonical SMILES for 2-(2,4-dimethylpentyl)oxirane is CC(C)CC(C)CC1CO1.
What is the InChIKey of 2-(2,4-dimethylpentyl)oxirane?
The InChIKey is KARQHOSADNHZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-7(2)4-8(3)5-9-6-10-9/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-(2,4-dimethylpentyl)oxirane?
2-(2,4-dimethylpentyl)oxirane has a molecular weight of 142.24 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpentyl)oxirane is sourced from PubChem (CID 14618591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).