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'}

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Related Compounds

(3E)-4-methyl-5-methylsulfanylpenta-1,3-diene
CID 142226074
(4E)-4-methyl-2-propan-2-ylidenehepta-4,6-dien-1-imine
CID 166837090
ethane;(3Z,6Z)-4-methylnona-1,3,6,8-tetraene
CID 142891665
(2Z,5E)-3-ethenyl-5-methylhepta-2,5-dien-2-amine
CID 166837247
CID 173495627
CID 173495627
4-methylnona-1,3-diene
CID 71327710
(3Z)-7-chloro-4-methylhepta-1,3-diene
CID 130195022
(4E)-4-methylhepta-4,6-dien-2-amine
CID 144723501
(4E,6E)-4,6-dimethylnona-1,4,6,8-tetraen-2-ol
CID 118001222
(3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane
CID 156821319
(3E,6E)-2,3,4,6-tetramethylocta-1,3,6-triene
CID 20695183
(3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
CID 6443227

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).