8-ethenyl-8-methylbicyclo[4.2.0]oct-2-en-7-one

C11H14O — CID 12882522

IUPAC8-ethenyl-8-methylbicyclo[4.2.0]oct-2-en-7-one
SMILESC=CC1(C)C(=O)C2CCC=CC21
InChIInChI=1S/C11H14O/c1-3-11(2)9-7-5-4-6-8(9)10(11)12/h3,5,7-9H,1,4,6H2,2H3
InChIKeyFULQBNUBQHLVRP-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.34
Rot. Bonds1

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

8-ethenyl-8-methylbicyclo[4.2.0]oct-2-en-7-one (PubChem CID 12882522) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 8-ethenyl-8-methylbicyclo[4.2.0]oct-2-en-7-one.

Molecular Properties

Compound Name8-ethenyl-8-methylbicyclo[4.2.0]oct-2-en-7-one
PubChem CID12882522
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name8-ethenyl-8-methylbicyclo[4.2.0]oct-2-en-7-one
SMILESC=CC1(C)C(=O)C2CCC=CC21
InChIInChI=1S/C11H14O/c1-3-11(2)9-7-5-4-6-8(9)10(11)12/h3,5,7-9H,1,4,6H2,2H3
InChIKeyFULQBNUBQHLVRP-UHFFFAOYSA-N
XLogP2.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.34
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-ethenyl-8-methylbicyclo[4.2.0]oct-2-en-7-one?
The IUPAC name of 8-ethenyl-8-methylbicyclo[4.2.0]oct-2-en-7-one (CID 12882522) is 8-ethenyl-8-methylbicyclo[4.2.0]oct-2-en-7-one.
What is the SMILES notation for 8-ethenyl-8-methylbicyclo[4.2.0]oct-2-en-7-one?
The canonical SMILES for 8-ethenyl-8-methylbicyclo[4.2.0]oct-2-en-7-one is C=CC1(C)C(=O)C2CCC=CC21.
What is the InChIKey of 8-ethenyl-8-methylbicyclo[4.2.0]oct-2-en-7-one?
The InChIKey is FULQBNUBQHLVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-3-11(2)9-7-5-4-6-8(9)10(11)12/h3,5,7-9H,1,4,6H2,2H3.
What are the key properties of 8-ethenyl-8-methylbicyclo[4.2.0]oct-2-en-7-one?
8-ethenyl-8-methylbicyclo[4.2.0]oct-2-en-7-one has a molecular weight of 162.23 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-8-methylbicyclo[4.2.0]oct-2-en-7-one is sourced from PubChem (CID 12882522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).