2-(4-tert-butylcyclohexyl)oxirane

C12H22O — CID 104575962

IUPAC2-(4-tert-butylcyclohexyl)oxirane
SMILESCC(C)(C)C1CCC(C2CO2)CC1
InChIInChI=1S/C12H22O/c1-12(2,3)10-6-4-9(5-7-10)11-8-13-11/h9-11H,4-8H2,1-3H3
InChIKeyPOXZGOXNYGVSIZ-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.24
Rot. Bonds1

About 2-(4-tert-butylcyclohexyl)oxirane

2-(4-tert-butylcyclohexyl)oxirane (PubChem CID 104575962) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)oxirane.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)oxirane
PubChem CID104575962
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-(4-tert-butylcyclohexyl)oxirane
SMILESCC(C)(C)C1CCC(C2CO2)CC1
InChIInChI=1S/C12H22O/c1-12(2,3)10-6-4-9(5-7-10)11-8-13-11/h9-11H,4-8H2,1-3H3
InChIKeyPOXZGOXNYGVSIZ-UHFFFAOYSA-N
XLogP3.24
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexyl)oxirane?
The IUPAC name of 2-(4-tert-butylcyclohexyl)oxirane (CID 104575962) is 2-(4-tert-butylcyclohexyl)oxirane.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)oxirane?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)oxirane is CC(C)(C)C1CCC(C2CO2)CC1.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)oxirane?
The InChIKey is POXZGOXNYGVSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-12(2,3)10-6-4-9(5-7-10)11-8-13-11/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-(4-tert-butylcyclohexyl)oxirane?
2-(4-tert-butylcyclohexyl)oxirane has a molecular weight of 182.31 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)oxirane is sourced from PubChem (CID 104575962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).