2-(4-prop-1-en-2-ylcyclohexen-1-yl)oxirane

C11H16O — CID 14919712

IUPAC2-(4-prop-1-en-2-ylcyclohexen-1-yl)oxirane
SMILESC=C(C)C1CC=C(C2CO2)CC1
InChIInChI=1S/C11H16O/c1-8(2)9-3-5-10(6-4-9)11-7-12-11/h5,9,11H,1,3-4,6-7H2,2H3
InChIKeyNCJYNZHNCLSLRD-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.69
Rot. Bonds2

About 2-(4-prop-1-en-2-ylcyclohexen-1-yl)oxirane

2-(4-prop-1-en-2-ylcyclohexen-1-yl)oxirane (PubChem CID 14919712) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-(4-prop-1-en-2-ylcyclohexen-1-yl)oxirane.

Molecular Properties

Compound Name2-(4-prop-1-en-2-ylcyclohexen-1-yl)oxirane
PubChem CID14919712
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2-(4-prop-1-en-2-ylcyclohexen-1-yl)oxirane
SMILESC=C(C)C1CC=C(C2CO2)CC1
InChIInChI=1S/C11H16O/c1-8(2)9-3-5-10(6-4-9)11-7-12-11/h5,9,11H,1,3-4,6-7H2,2H3
InChIKeyNCJYNZHNCLSLRD-UHFFFAOYSA-N
XLogP2.69
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.69
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-prop-1-en-2-ylcyclohexen-1-yl)oxirane?
The IUPAC name of 2-(4-prop-1-en-2-ylcyclohexen-1-yl)oxirane (CID 14919712) is 2-(4-prop-1-en-2-ylcyclohexen-1-yl)oxirane.
What is the SMILES notation for 2-(4-prop-1-en-2-ylcyclohexen-1-yl)oxirane?
The canonical SMILES for 2-(4-prop-1-en-2-ylcyclohexen-1-yl)oxirane is C=C(C)C1CC=C(C2CO2)CC1.
What is the InChIKey of 2-(4-prop-1-en-2-ylcyclohexen-1-yl)oxirane?
The InChIKey is NCJYNZHNCLSLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-8(2)9-3-5-10(6-4-9)11-7-12-11/h5,9,11H,1,3-4,6-7H2,2H3.
What are the key properties of 2-(4-prop-1-en-2-ylcyclohexen-1-yl)oxirane?
2-(4-prop-1-en-2-ylcyclohexen-1-yl)oxirane has a molecular weight of 164.25 g/mol, XLogP of 2.69, 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-ylcyclohexen-1-yl)oxirane is sourced from PubChem (CID 14919712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).