5,6-dimethyldeca-1,4,8-triene

C12H20 — CID 59970929

IUPAC5,6-dimethyldeca-1,4,8-triene
SMILESC=CCC=C(C)C(C)CC=CC
InChIInChI=1S/C12H20/c1-5-7-9-11(3)12(4)10-8-6-2/h5-6,8-9,12H,1,7,10H2,2-4H3
InChIKeyJINCSQYOANIPKL-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.11
Rot. Bonds5

About 5,6-dimethyldeca-1,4,8-triene

5,6-dimethyldeca-1,4,8-triene (PubChem CID 59970929) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 5,6-dimethyldeca-1,4,8-triene.

Molecular Properties

Compound Name5,6-dimethyldeca-1,4,8-triene
PubChem CID59970929
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name5,6-dimethyldeca-1,4,8-triene
SMILESC=CCC=C(C)C(C)CC=CC
InChIInChI=1S/C12H20/c1-5-7-9-11(3)12(4)10-8-6-2/h5-6,8-9,12H,1,7,10H2,2-4H3
InChIKeyJINCSQYOANIPKL-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5,6-dimethyldeca-1,4,8-triene 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

(4E,7E)-5,6,7-trimethylnona-1,4,7-triene
CID 20695263
5-methylnona-1,4,7-triene
CID 59970949
hexa-1,4-diene
CID 163631115
calcium;hydride;3-methylhept-5-en-2-one
CID 175109385
acetic acid;hexa-1,4-diene
CID 174398643
5,6,8,12-tetramethyltrideca-1,4,7,11-tetraene
CID 59775223
hexa-1,4-diene;hydrate
CID 162019515
(2Z)-hexa-2,5-dien-2-ol
CID 102117953
(3S,5Z)-3-methylhepta-1,5-diene
CID 24884419
4-methylocta-4,7-dien-1-yn-3-ol
CID 54267894
5,6,7-trimethyldeca-2,6-diene
CID 123505419
(E)-2-methylhex-4-enamide
CID 126589197

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyldeca-1,4,8-triene?
The IUPAC name of 5,6-dimethyldeca-1,4,8-triene (CID 59970929) is 5,6-dimethyldeca-1,4,8-triene.
What is the SMILES notation for 5,6-dimethyldeca-1,4,8-triene?
The canonical SMILES for 5,6-dimethyldeca-1,4,8-triene is C=CCC=C(C)C(C)CC=CC.
What is the InChIKey of 5,6-dimethyldeca-1,4,8-triene?
The InChIKey is JINCSQYOANIPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-5-7-9-11(3)12(4)10-8-6-2/h5-6,8-9,12H,1,7,10H2,2-4H3.
What are the key properties of 5,6-dimethyldeca-1,4,8-triene?
5,6-dimethyldeca-1,4,8-triene has a molecular weight of 164.29 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyldeca-1,4,8-triene is sourced from PubChem (CID 59970929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).