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

C10H14O2 — CID 23051885

IUPAC6-methoxy-8-methylbicyclo[4.2.0]oct-2-en-7-one
SMILESCOC12CCC=CC1C(C)C2=O
InChIInChI=1S/C10H14O2/c1-7-8-5-3-4-6-10(8,12-2)9(7)11/h3,5,7-8H,4,6H2,1-2H3
InChIKeyMOWKTOAKQIBWLD-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.56
Rot. Bonds1

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

6-methoxy-8-methylbicyclo[4.2.0]oct-2-en-7-one (PubChem CID 23051885) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 6-methoxy-8-methylbicyclo[4.2.0]oct-2-en-7-one.

Molecular Properties

Compound Name6-methoxy-8-methylbicyclo[4.2.0]oct-2-en-7-one
PubChem CID23051885
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name6-methoxy-8-methylbicyclo[4.2.0]oct-2-en-7-one
SMILESCOC12CCC=CC1C(C)C2=O
InChIInChI=1S/C10H14O2/c1-7-8-5-3-4-6-10(8,12-2)9(7)11/h3,5,7-8H,4,6H2,1-2H3
InChIKeyMOWKTOAKQIBWLD-UHFFFAOYSA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 6-methoxy-8-methylbicyclo[4.2.0]oct-2-en-7-one?
The IUPAC name of 6-methoxy-8-methylbicyclo[4.2.0]oct-2-en-7-one (CID 23051885) is 6-methoxy-8-methylbicyclo[4.2.0]oct-2-en-7-one.
What is the SMILES notation for 6-methoxy-8-methylbicyclo[4.2.0]oct-2-en-7-one?
The canonical SMILES for 6-methoxy-8-methylbicyclo[4.2.0]oct-2-en-7-one is COC12CCC=CC1C(C)C2=O.
What is the InChIKey of 6-methoxy-8-methylbicyclo[4.2.0]oct-2-en-7-one?
The InChIKey is MOWKTOAKQIBWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7-8-5-3-4-6-10(8,12-2)9(7)11/h3,5,7-8H,4,6H2,1-2H3.
What are the key properties of 6-methoxy-8-methylbicyclo[4.2.0]oct-2-en-7-one?
6-methoxy-8-methylbicyclo[4.2.0]oct-2-en-7-one has a molecular weight of 166.22 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-8-methylbicyclo[4.2.0]oct-2-en-7-one is sourced from PubChem (CID 23051885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).