2-(4-ethenylcyclohexyl)oxirane

C10H16O — CID 101316200

IUPAC2-(4-ethenylcyclohexyl)oxirane
SMILESC=CC1CCC(C2CO2)CC1
InChIInChI=1S/C10H16O/c1-2-8-3-5-9(6-4-8)10-7-11-10/h2,8-10H,1,3-7H2
InChIKeyPOMCLSNRUTUYOA-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.38
Rot. Bonds2

About 2-(4-ethenylcyclohexyl)oxirane

2-(4-ethenylcyclohexyl)oxirane (PubChem CID 101316200) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(4-ethenylcyclohexyl)oxirane.

Molecular Properties

Compound Name2-(4-ethenylcyclohexyl)oxirane
PubChem CID101316200
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-(4-ethenylcyclohexyl)oxirane
SMILESC=CC1CCC(C2CO2)CC1
InChIInChI=1S/C10H16O/c1-2-8-3-5-9(6-4-8)10-7-11-10/h2,8-10H,1,3-7H2
InChIKeyPOMCLSNRUTUYOA-UHFFFAOYSA-N
XLogP2.38
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.38
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylcyclohexyl)oxirane?
The IUPAC name of 2-(4-ethenylcyclohexyl)oxirane (CID 101316200) is 2-(4-ethenylcyclohexyl)oxirane.
What is the SMILES notation for 2-(4-ethenylcyclohexyl)oxirane?
The canonical SMILES for 2-(4-ethenylcyclohexyl)oxirane is C=CC1CCC(C2CO2)CC1.
What is the InChIKey of 2-(4-ethenylcyclohexyl)oxirane?
The InChIKey is POMCLSNRUTUYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-2-8-3-5-9(6-4-8)10-7-11-10/h2,8-10H,1,3-7H2.
What are the key properties of 2-(4-ethenylcyclohexyl)oxirane?
2-(4-ethenylcyclohexyl)oxirane has a molecular weight of 152.24 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylcyclohexyl)oxirane is sourced from PubChem (CID 101316200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).