6,8-dimethylbicyclo[4.3.1]dec-7-en-10-one

C12H18O — CID 130037349

IUPAC6,8-dimethylbicyclo[4.3.1]dec-7-en-10-one
SMILESCC1=CC2(C)CCCCC(C1)C2=O
InChIInChI=1S/C12H18O/c1-9-7-10-5-3-4-6-12(2,8-9)11(10)13/h8,10H,3-7H2,1-2H3
InChIKeyZOHKDKATIGQTGS-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.10
Rot. Bonds

About 6,8-dimethylbicyclo[4.3.1]dec-7-en-10-one

6,8-dimethylbicyclo[4.3.1]dec-7-en-10-one (PubChem CID 130037349) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 6,8-dimethylbicyclo[4.3.1]dec-7-en-10-one.

Molecular Properties

Compound Name6,8-dimethylbicyclo[4.3.1]dec-7-en-10-one
PubChem CID130037349
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name6,8-dimethylbicyclo[4.3.1]dec-7-en-10-one
SMILESCC1=CC2(C)CCCCC(C1)C2=O
InChIInChI=1S/C12H18O/c1-9-7-10-5-3-4-6-12(2,8-9)11(10)13/h8,10H,3-7H2,1-2H3
InChIKeyZOHKDKATIGQTGS-UHFFFAOYSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.10
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 6,8-dimethylbicyclo[4.3.1]dec-7-en-10-one?
The IUPAC name of 6,8-dimethylbicyclo[4.3.1]dec-7-en-10-one (CID 130037349) is 6,8-dimethylbicyclo[4.3.1]dec-7-en-10-one.
What is the SMILES notation for 6,8-dimethylbicyclo[4.3.1]dec-7-en-10-one?
The canonical SMILES for 6,8-dimethylbicyclo[4.3.1]dec-7-en-10-one is CC1=CC2(C)CCCCC(C1)C2=O.
What is the InChIKey of 6,8-dimethylbicyclo[4.3.1]dec-7-en-10-one?
The InChIKey is ZOHKDKATIGQTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-9-7-10-5-3-4-6-12(2,8-9)11(10)13/h8,10H,3-7H2,1-2H3.
What are the key properties of 6,8-dimethylbicyclo[4.3.1]dec-7-en-10-one?
6,8-dimethylbicyclo[4.3.1]dec-7-en-10-one has a molecular weight of 178.28 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethylbicyclo[4.3.1]dec-7-en-10-one is sourced from PubChem (CID 130037349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).