8-methyl-6-(2-methylpropoxy)bicyclo[4.2.0]oct-2-en-7-one

C13H20O2 — CID 23051879

IUPAC8-methyl-6-(2-methylpropoxy)bicyclo[4.2.0]oct-2-en-7-one
SMILESCC(C)COC12CCC=CC1C(C)C2=O
InChIInChI=1S/C13H20O2/c1-9(2)8-15-13-7-5-4-6-11(13)10(3)12(13)14/h4,6,9-11H,5,7-8H2,1-3H3
InChIKeyPHZZGLQIJQRMII-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.58
Rot. Bonds3

About 8-methyl-6-(2-methylpropoxy)bicyclo[4.2.0]oct-2-en-7-one

8-methyl-6-(2-methylpropoxy)bicyclo[4.2.0]oct-2-en-7-one (PubChem CID 23051879) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 8-methyl-6-(2-methylpropoxy)bicyclo[4.2.0]oct-2-en-7-one.

Molecular Properties

Compound Name8-methyl-6-(2-methylpropoxy)bicyclo[4.2.0]oct-2-en-7-one
PubChem CID23051879
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name8-methyl-6-(2-methylpropoxy)bicyclo[4.2.0]oct-2-en-7-one
SMILESCC(C)COC12CCC=CC1C(C)C2=O
InChIInChI=1S/C13H20O2/c1-9(2)8-15-13-7-5-4-6-11(13)10(3)12(13)14/h4,6,9-11H,5,7-8H2,1-3H3
InChIKeyPHZZGLQIJQRMII-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.58
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 8-methyl-6-(2-methylpropoxy)bicyclo[4.2.0]oct-2-en-7-one?
The IUPAC name of 8-methyl-6-(2-methylpropoxy)bicyclo[4.2.0]oct-2-en-7-one (CID 23051879) is 8-methyl-6-(2-methylpropoxy)bicyclo[4.2.0]oct-2-en-7-one.
What is the SMILES notation for 8-methyl-6-(2-methylpropoxy)bicyclo[4.2.0]oct-2-en-7-one?
The canonical SMILES for 8-methyl-6-(2-methylpropoxy)bicyclo[4.2.0]oct-2-en-7-one is CC(C)COC12CCC=CC1C(C)C2=O.
What is the InChIKey of 8-methyl-6-(2-methylpropoxy)bicyclo[4.2.0]oct-2-en-7-one?
The InChIKey is PHZZGLQIJQRMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-9(2)8-15-13-7-5-4-6-11(13)10(3)12(13)14/h4,6,9-11H,5,7-8H2,1-3H3.
What are the key properties of 8-methyl-6-(2-methylpropoxy)bicyclo[4.2.0]oct-2-en-7-one?
8-methyl-6-(2-methylpropoxy)bicyclo[4.2.0]oct-2-en-7-one has a molecular weight of 208.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-(2-methylpropoxy)bicyclo[4.2.0]oct-2-en-7-one is sourced from PubChem (CID 23051879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).