3,6-dimethyldeca-1,3-diene

C12H22 — CID 91478498

IUPAC3,6-dimethyldeca-1,3-diene
SMILESC=CC(C)=CCC(C)CCCC
InChIInChI=1S/C12H22/c1-5-7-8-12(4)10-9-11(3)6-2/h6,9,12H,2,5,7-8,10H2,1,3-4H3
InChIKeyZCPFDYCHSLXFCE-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.34
Rot. Bonds6

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

3,6-dimethyldeca-1,3-diene (PubChem CID 91478498) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 3,6-dimethyldeca-1,3-diene.

Molecular Properties

Compound Name3,6-dimethyldeca-1,3-diene
PubChem CID91478498
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name3,6-dimethyldeca-1,3-diene
SMILESC=CC(C)=CCC(C)CCCC
InChIInChI=1S/C12H22/c1-5-7-8-12(4)10-9-11(3)6-2/h6,9,12H,2,5,7-8,10H2,1,3-4H3
InChIKeyZCPFDYCHSLXFCE-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,6-dimethyldeca-1,3-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

(2S,4Z)-2,5-dimethylhepta-4,6-dien-1-amine
CID 89377891
(3E)-3-methylnona-1,3-diene
CID 13382655
(3Z)-3-methyldodeca-1,3-diene
CID 13382661
2,5-dimethylheptadec-2-en-1-amine
CID 91321312
2,6-dimethyldeca-2,3-diene
CID 123175368
2,5-dimethylheptadec-2-enoic acid
CID 54050790
6-methyl-2-(6-methyldodeca-1,3-dien-2-yloxy)dodeca-1,3-diene
CID 141011255
10-methyl-7-pent-1-enyltetradeca-5,7-diene
CID 173291394
trimethyl-[(E)-4-methyl-1-tributylstannyloct-1-enoxy]silane
CID 88765999
ethane;3-methylheptane;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 173217493
7-methylundec-1-ene
CID 522554
(3R)-2,6-dimethylocta-1,5,7-trien-3-ol
CID 162867192

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyldeca-1,3-diene?
The IUPAC name of 3,6-dimethyldeca-1,3-diene (CID 91478498) is 3,6-dimethyldeca-1,3-diene.
What is the SMILES notation for 3,6-dimethyldeca-1,3-diene?
The canonical SMILES for 3,6-dimethyldeca-1,3-diene is C=CC(C)=CCC(C)CCCC.
What is the InChIKey of 3,6-dimethyldeca-1,3-diene?
The InChIKey is ZCPFDYCHSLXFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-5-7-8-12(4)10-9-11(3)6-2/h6,9,12H,2,5,7-8,10H2,1,3-4H3.
What are the key properties of 3,6-dimethyldeca-1,3-diene?
3,6-dimethyldeca-1,3-diene has a molecular weight of 166.31 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyldeca-1,3-diene is sourced from PubChem (CID 91478498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).