2-(2,3-dimethylpentyl)-3-ethyloxirane

C11H22O — CID 131972305

IUPAC2-(2,3-dimethylpentyl)-3-ethyloxirane
SMILESCCC(C)C(C)CC1OC1CC
InChIInChI=1S/C11H22O/c1-5-8(3)9(4)7-11-10(6-2)12-11/h8-11H,5-7H2,1-4H3
InChIKeyANKWWZYCEZBVRE-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.24
Rot. Bonds5

About 2-(2,3-dimethylpentyl)-3-ethyloxirane

2-(2,3-dimethylpentyl)-3-ethyloxirane (PubChem CID 131972305) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-(2,3-dimethylpentyl)-3-ethyloxirane.

Molecular Properties

Compound Name2-(2,3-dimethylpentyl)-3-ethyloxirane
PubChem CID131972305
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2-(2,3-dimethylpentyl)-3-ethyloxirane
SMILESCCC(C)C(C)CC1OC1CC
InChIInChI=1S/C11H22O/c1-5-8(3)9(4)7-11-10(6-2)12-11/h8-11H,5-7H2,1-4H3
InChIKeyANKWWZYCEZBVRE-UHFFFAOYSA-N
XLogP3.24
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2,3-dimethylpentyl)-3-ethyloxirane 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-(2,3-dimethylpentyl)-3-ethyloxirane?
The IUPAC name of 2-(2,3-dimethylpentyl)-3-ethyloxirane (CID 131972305) is 2-(2,3-dimethylpentyl)-3-ethyloxirane.
What is the SMILES notation for 2-(2,3-dimethylpentyl)-3-ethyloxirane?
The canonical SMILES for 2-(2,3-dimethylpentyl)-3-ethyloxirane is CCC(C)C(C)CC1OC1CC.
What is the InChIKey of 2-(2,3-dimethylpentyl)-3-ethyloxirane?
The InChIKey is ANKWWZYCEZBVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-5-8(3)9(4)7-11-10(6-2)12-11/h8-11H,5-7H2,1-4H3.
What are the key properties of 2-(2,3-dimethylpentyl)-3-ethyloxirane?
2-(2,3-dimethylpentyl)-3-ethyloxirane has a molecular weight of 170.30 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpentyl)-3-ethyloxirane is sourced from PubChem (CID 131972305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).