2-[(4-ethenylcyclohexyl)methyl]oxirane

C11H18O — CID 54336512

IUPAC2-[(4-ethenylcyclohexyl)methyl]oxirane
SMILESC=CC1CCC(CC2CO2)CC1
InChIInChI=1S/C11H18O/c1-2-9-3-5-10(6-4-9)7-11-8-12-11/h2,9-11H,1,3-8H2
InChIKeySWCSRPJUUQBEQR-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.77
Rot. Bonds3

About 2-[(4-ethenylcyclohexyl)methyl]oxirane

2-[(4-ethenylcyclohexyl)methyl]oxirane (PubChem CID 54336512) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-[(4-ethenylcyclohexyl)methyl]oxirane.

Molecular Properties

Compound Name2-[(4-ethenylcyclohexyl)methyl]oxirane
PubChem CID54336512
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-[(4-ethenylcyclohexyl)methyl]oxirane
SMILESC=CC1CCC(CC2CO2)CC1
InChIInChI=1S/C11H18O/c1-2-9-3-5-10(6-4-9)7-11-8-12-11/h2,9-11H,1,3-8H2
InChIKeySWCSRPJUUQBEQR-UHFFFAOYSA-N
XLogP2.77
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethenylcyclohexyl)methyl]oxirane?
The IUPAC name of 2-[(4-ethenylcyclohexyl)methyl]oxirane (CID 54336512) is 2-[(4-ethenylcyclohexyl)methyl]oxirane.
What is the SMILES notation for 2-[(4-ethenylcyclohexyl)methyl]oxirane?
The canonical SMILES for 2-[(4-ethenylcyclohexyl)methyl]oxirane is C=CC1CCC(CC2CO2)CC1.
What is the InChIKey of 2-[(4-ethenylcyclohexyl)methyl]oxirane?
The InChIKey is SWCSRPJUUQBEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-2-9-3-5-10(6-4-9)7-11-8-12-11/h2,9-11H,1,3-8H2.
What are the key properties of 2-[(4-ethenylcyclohexyl)methyl]oxirane?
2-[(4-ethenylcyclohexyl)methyl]oxirane has a molecular weight of 166.26 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethenylcyclohexyl)methyl]oxirane is sourced from PubChem (CID 54336512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).