8-ethyl-6-methylbicyclo[4.2.0]oct-2-en-7-one

C11H16O — CID 22150584

IUPAC8-ethyl-6-methylbicyclo[4.2.0]oct-2-en-7-one
SMILESCCC1C(=O)C2(C)CCC=CC12
InChIInChI=1S/C11H16O/c1-3-8-9-6-4-5-7-11(9,2)10(8)12/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyYOGYKAODEALAJW-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.57
Rot. Bonds1

About 8-ethyl-6-methylbicyclo[4.2.0]oct-2-en-7-one

8-ethyl-6-methylbicyclo[4.2.0]oct-2-en-7-one (PubChem CID 22150584) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 8-ethyl-6-methylbicyclo[4.2.0]oct-2-en-7-one.

Molecular Properties

Compound Name8-ethyl-6-methylbicyclo[4.2.0]oct-2-en-7-one
PubChem CID22150584
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name8-ethyl-6-methylbicyclo[4.2.0]oct-2-en-7-one
SMILESCCC1C(=O)C2(C)CCC=CC12
InChIInChI=1S/C11H16O/c1-3-8-9-6-4-5-7-11(9,2)10(8)12/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyYOGYKAODEALAJW-UHFFFAOYSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-methylbicyclo[4.2.0]oct-2-en-7-one?
The IUPAC name of 8-ethyl-6-methylbicyclo[4.2.0]oct-2-en-7-one (CID 22150584) is 8-ethyl-6-methylbicyclo[4.2.0]oct-2-en-7-one.
What is the SMILES notation for 8-ethyl-6-methylbicyclo[4.2.0]oct-2-en-7-one?
The canonical SMILES for 8-ethyl-6-methylbicyclo[4.2.0]oct-2-en-7-one is CCC1C(=O)C2(C)CCC=CC12.
What is the InChIKey of 8-ethyl-6-methylbicyclo[4.2.0]oct-2-en-7-one?
The InChIKey is YOGYKAODEALAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-3-8-9-6-4-5-7-11(9,2)10(8)12/h4,6,8-9H,3,5,7H2,1-2H3.
What are the key properties of 8-ethyl-6-methylbicyclo[4.2.0]oct-2-en-7-one?
8-ethyl-6-methylbicyclo[4.2.0]oct-2-en-7-one has a molecular weight of 164.25 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-methylbicyclo[4.2.0]oct-2-en-7-one is sourced from PubChem (CID 22150584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).