3,9-dimethyldeca-1,6-diene

C12H22 — CID 173018442

IUPAC3,9-dimethyldeca-1,6-diene
SMILESC=CC(C)CCC=CCC(C)C
InChIInChI=1S/C12H22/c1-5-12(4)10-8-6-7-9-11(2)3/h5-7,11-12H,1,8-10H2,2-4H3
InChIKeyXJRXCHGAKVWSOL-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.19
Rot. Bonds6

About 3,9-dimethyldeca-1,6-diene

3,9-dimethyldeca-1,6-diene (PubChem CID 173018442) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 3,9-dimethyldeca-1,6-diene.

Molecular Properties

Compound Name3,9-dimethyldeca-1,6-diene
PubChem CID173018442
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name3,9-dimethyldeca-1,6-diene
SMILESC=CC(C)CCC=CCC(C)C
InChIInChI=1S/C12H22/c1-5-12(4)10-8-6-7-9-11(2)3/h5-7,11-12H,1,8-10H2,2-4H3
InChIKeyXJRXCHGAKVWSOL-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,9-dimethyldeca-1,6-diene with MolForge

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

Launch Full Analysis

Related Compounds

3,9-dimethylundeca-1,6-diene
CID 173245384
2,8-dimethylnon-4-ene
CID 54058844
(6E)-3-methylocta-1,6-diene
CID 14140905
8-methylnona-1,5-diene
CID 54303226
(3S)-3-methylhepta-1,6-diene
CID 145257056
(5Z)-3-methylnona-1,5-diene
CID 145064168
3,6-dimethylhept-1-ene
CID 18443713
(3E)-N,7-dimethylnona-3,8-dien-2-amine
CID 163884829
3,6-dimethylhept-1-ene;ethane
CID 142076338
8-methylnona-1,5-diene;2-methylprop-1-ene
CID 173298827
1-bromo-6-methylhept-3-ene
CID 79006953
3,8-dimethylnon-1-ene
CID 54356105

Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyldeca-1,6-diene?
The IUPAC name of 3,9-dimethyldeca-1,6-diene (CID 173018442) is 3,9-dimethyldeca-1,6-diene.
What is the SMILES notation for 3,9-dimethyldeca-1,6-diene?
The canonical SMILES for 3,9-dimethyldeca-1,6-diene is C=CC(C)CCC=CCC(C)C.
What is the InChIKey of 3,9-dimethyldeca-1,6-diene?
The InChIKey is XJRXCHGAKVWSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-5-12(4)10-8-6-7-9-11(2)3/h5-7,11-12H,1,8-10H2,2-4H3.
What are the key properties of 3,9-dimethyldeca-1,6-diene?
3,9-dimethyldeca-1,6-diene has a molecular weight of 166.31 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyldeca-1,6-diene is sourced from PubChem (CID 173018442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).