2-ethyl-3-propan-2-yloxirane

C7H14O — CID 22934413

IUPAC2-ethyl-3-propan-2-yloxirane
SMILESCCC1OC1C(C)C
InChIInChI=1S/C7H14O/c1-4-6-7(8-6)5(2)3/h5-7H,4H2,1-3H3
InChIKeyHHMAZJBMLHSFKR-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.82
Rot. Bonds2

About 2-ethyl-3-propan-2-yloxirane

2-ethyl-3-propan-2-yloxirane (PubChem CID 22934413) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 2-ethyl-3-propan-2-yloxirane.

Molecular Properties

Compound Name2-ethyl-3-propan-2-yloxirane
PubChem CID22934413
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name2-ethyl-3-propan-2-yloxirane
SMILESCCC1OC1C(C)C
InChIInChI=1S/C7H14O/c1-4-6-7(8-6)5(2)3/h5-7H,4H2,1-3H3
InChIKeyHHMAZJBMLHSFKR-UHFFFAOYSA-N
XLogP1.82
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethyl-3-propan-2-yloxirane 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-ethyl-3-propan-2-yloxirane?
The IUPAC name of 2-ethyl-3-propan-2-yloxirane (CID 22934413) is 2-ethyl-3-propan-2-yloxirane.
What is the SMILES notation for 2-ethyl-3-propan-2-yloxirane?
The canonical SMILES for 2-ethyl-3-propan-2-yloxirane is CCC1OC1C(C)C.
What is the InChIKey of 2-ethyl-3-propan-2-yloxirane?
The InChIKey is HHMAZJBMLHSFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-4-6-7(8-6)5(2)3/h5-7H,4H2,1-3H3.
What are the key properties of 2-ethyl-3-propan-2-yloxirane?
2-ethyl-3-propan-2-yloxirane has a molecular weight of 114.19 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-propan-2-yloxirane is sourced from PubChem (CID 22934413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).