6,7-dimethyldeca-2,6-diene

C12H22 — CID 91199113

IUPAC6,7-dimethyldeca-2,6-diene
SMILESCC=CCCC(C)=C(C)CCC
InChIInChI=1S/C12H22/c1-5-7-8-10-12(4)11(3)9-6-2/h5,7H,6,8-10H2,1-4H3
InChIKeyVFOOVZILLGOYBE-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.48
Rot. Bonds5

About 6,7-dimethyldeca-2,6-diene

6,7-dimethyldeca-2,6-diene (PubChem CID 91199113) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 6,7-dimethyldeca-2,6-diene.

Molecular Properties

Compound Name6,7-dimethyldeca-2,6-diene
PubChem CID91199113
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name6,7-dimethyldeca-2,6-diene
SMILESCC=CCCC(C)=C(C)CCC
InChIInChI=1S/C12H22/c1-5-7-8-10-12(4)11(3)9-6-2/h5,7H,6,8-10H2,1-4H3
InChIKeyVFOOVZILLGOYBE-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6,7-dimethyldeca-2,6-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyldeca-2,6-diene?
The IUPAC name of 6,7-dimethyldeca-2,6-diene (CID 91199113) is 6,7-dimethyldeca-2,6-diene.
What is the SMILES notation for 6,7-dimethyldeca-2,6-diene?
The canonical SMILES for 6,7-dimethyldeca-2,6-diene is CC=CCCC(C)=C(C)CCC.
What is the InChIKey of 6,7-dimethyldeca-2,6-diene?
The InChIKey is VFOOVZILLGOYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-5-7-8-10-12(4)11(3)9-6-2/h5,7H,6,8-10H2,1-4H3.
What are the key properties of 6,7-dimethyldeca-2,6-diene?
6,7-dimethyldeca-2,6-diene has a molecular weight of 166.31 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyldeca-2,6-diene is sourced from PubChem (CID 91199113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).