2-(4-prop-1-en-2-ylcyclohexyl)oxirane

C11H18O — CID 121217582

IUPAC2-(4-prop-1-en-2-ylcyclohexyl)oxirane
SMILESC=C(C)C1CCC(C2CO2)CC1
InChIInChI=1S/C11H18O/c1-8(2)9-3-5-10(6-4-9)11-7-12-11/h9-11H,1,3-7H2,2H3
InChIKeyNBZSPZLKJAZDFR-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.77
Rot. Bonds2

About 2-(4-prop-1-en-2-ylcyclohexyl)oxirane

2-(4-prop-1-en-2-ylcyclohexyl)oxirane (PubChem CID 121217582) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-(4-prop-1-en-2-ylcyclohexyl)oxirane.

Molecular Properties

Compound Name2-(4-prop-1-en-2-ylcyclohexyl)oxirane
PubChem CID121217582
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-(4-prop-1-en-2-ylcyclohexyl)oxirane
SMILESC=C(C)C1CCC(C2CO2)CC1
InChIInChI=1S/C11H18O/c1-8(2)9-3-5-10(6-4-9)11-7-12-11/h9-11H,1,3-7H2,2H3
InChIKeyNBZSPZLKJAZDFR-UHFFFAOYSA-N
XLogP2.77
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-prop-1-en-2-ylcyclohexyl)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-(4-prop-1-en-2-ylcyclohexyl)oxirane?
The IUPAC name of 2-(4-prop-1-en-2-ylcyclohexyl)oxirane (CID 121217582) is 2-(4-prop-1-en-2-ylcyclohexyl)oxirane.
What is the SMILES notation for 2-(4-prop-1-en-2-ylcyclohexyl)oxirane?
The canonical SMILES for 2-(4-prop-1-en-2-ylcyclohexyl)oxirane is C=C(C)C1CCC(C2CO2)CC1.
What is the InChIKey of 2-(4-prop-1-en-2-ylcyclohexyl)oxirane?
The InChIKey is NBZSPZLKJAZDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-8(2)9-3-5-10(6-4-9)11-7-12-11/h9-11H,1,3-7H2,2H3.
What are the key properties of 2-(4-prop-1-en-2-ylcyclohexyl)oxirane?
2-(4-prop-1-en-2-ylcyclohexyl)oxirane has a molecular weight of 166.26 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-prop-1-en-2-ylcyclohexyl)oxirane is sourced from PubChem (CID 121217582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).