4,6-dimethylocta-1,3,6-triene

C10H16 — CID 59970849

IUPAC4,6-dimethylocta-1,3,6-triene
SMILESC=CC=C(C)CC(C)=CC
InChIInChI=1S/C10H16/c1-5-7-10(4)8-9(3)6-2/h5-7H,1,8H2,2-4H3
InChIKeyHUGKZHRVCJBOLB-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.47
Rot. Bonds3

About 4,6-dimethylocta-1,3,6-triene

4,6-dimethylocta-1,3,6-triene (PubChem CID 59970849) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 4,6-dimethylocta-1,3,6-triene.

Molecular Properties

Compound Name4,6-dimethylocta-1,3,6-triene
PubChem CID59970849
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name4,6-dimethylocta-1,3,6-triene
SMILESC=CC=C(C)CC(C)=CC
InChIInChI=1S/C10H16/c1-5-7-10(4)8-9(3)6-2/h5-7H,1,8H2,2-4H3
InChIKeyHUGKZHRVCJBOLB-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4,6-dimethylocta-1,3,6-triene 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 4,6-dimethylocta-1,3,6-triene?
The IUPAC name of 4,6-dimethylocta-1,3,6-triene (CID 59970849) is 4,6-dimethylocta-1,3,6-triene.
What is the SMILES notation for 4,6-dimethylocta-1,3,6-triene?
The canonical SMILES for 4,6-dimethylocta-1,3,6-triene is C=CC=C(C)CC(C)=CC.
What is the InChIKey of 4,6-dimethylocta-1,3,6-triene?
The InChIKey is HUGKZHRVCJBOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-5-7-10(4)8-9(3)6-2/h5-7H,1,8H2,2-4H3.
What are the key properties of 4,6-dimethylocta-1,3,6-triene?
4,6-dimethylocta-1,3,6-triene has a molecular weight of 136.24 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylocta-1,3,6-triene is sourced from PubChem (CID 59970849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).