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

C11H16O2 — CID 23051884

IUPAC6-ethoxy-8-methylbicyclo[4.2.0]oct-2-en-7-one
SMILESCCOC12CCC=CC1C(C)C2=O
InChIInChI=1S/C11H16O2/c1-3-13-11-7-5-4-6-9(11)8(2)10(11)12/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyPBEWUKBMSOPSLI-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.95
Rot. Bonds2

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

6-ethoxy-8-methylbicyclo[4.2.0]oct-2-en-7-one (PubChem CID 23051884) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 6-ethoxy-8-methylbicyclo[4.2.0]oct-2-en-7-one.

Molecular Properties

Compound Name6-ethoxy-8-methylbicyclo[4.2.0]oct-2-en-7-one
PubChem CID23051884
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name6-ethoxy-8-methylbicyclo[4.2.0]oct-2-en-7-one
SMILESCCOC12CCC=CC1C(C)C2=O
InChIInChI=1S/C11H16O2/c1-3-13-11-7-5-4-6-9(11)8(2)10(11)12/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyPBEWUKBMSOPSLI-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-Methyl-6-(2,2,2-trifluoroethoxy)bicyclo[4.2.0]oct-2-en-7-one
CID 20145562
6-(2,2,2-Trifluoroethoxy)bicyclo[4.2.0]oct-2-en-7-one
CID 20145583
6-Methoxy-8-methylbicyclo[4.2.0]oct-2-en-7-one
CID 23051885
(1R,5R,6R,8S)-8-methoxy-2-methyl-5-propan-2-ylbicyclo[4.2.0]oct-2-en-7-one
CID 11469848
[(1S,6R)-8-oxo-7-bicyclo[4.2.0]oct-3-enyl] acetate
CID 134894658
(1S,2R,6S)-2-methoxy-2,4-dimethylbicyclo[4.2.0]oct-4-en-7-one
CID 10678941
(1R,6S,8S)-8-cyclopropyl-8-methoxybicyclo[4.2.0]oct-2-en-7-one
CID 131871729
6-Methoxybicyclo[4.2.0]oct-2-en-7-one
CID 14127257
8-Methyl-6-(2-methylpropoxy)bicyclo[4.2.0]oct-2-en-7-one
CID 23051879
8-Ethyl-6-methoxybicyclo[4.2.0]oct-2-en-7-one
CID 23051887
8-Methyl-6-propoxybicyclo[4.2.0]oct-2-en-7-one
CID 23051889
6-Butoxy-8-methylbicyclo[4.2.0]oct-2-en-7-one
CID 23051895

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-8-methylbicyclo[4.2.0]oct-2-en-7-one?
The IUPAC name of 6-ethoxy-8-methylbicyclo[4.2.0]oct-2-en-7-one (CID 23051884) is 6-ethoxy-8-methylbicyclo[4.2.0]oct-2-en-7-one.
What is the SMILES notation for 6-ethoxy-8-methylbicyclo[4.2.0]oct-2-en-7-one?
The canonical SMILES for 6-ethoxy-8-methylbicyclo[4.2.0]oct-2-en-7-one is CCOC12CCC=CC1C(C)C2=O.
What is the InChIKey of 6-ethoxy-8-methylbicyclo[4.2.0]oct-2-en-7-one?
The InChIKey is PBEWUKBMSOPSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-13-11-7-5-4-6-9(11)8(2)10(11)12/h4,6,8-9H,3,5,7H2,1-2H3.
What are the key properties of 6-ethoxy-8-methylbicyclo[4.2.0]oct-2-en-7-one?
6-ethoxy-8-methylbicyclo[4.2.0]oct-2-en-7-one has a molecular weight of 180.25 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-8-methylbicyclo[4.2.0]oct-2-en-7-one is sourced from PubChem (CID 23051884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).