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

C10H16 — CID 90763944

IUPAC3,6-dimethylocta-1,4,6-triene
SMILESC=CC(C)C=CC(C)=CC
InChIInChI=1S/C10H16/c1-5-9(3)7-8-10(4)6-2/h5-9H,1H2,2-4H3
InChIKeyMEBVIMQAQGHSFG-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.33
Rot. Bonds3

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

3,6-dimethylocta-1,4,6-triene (PubChem CID 90763944) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 3,6-dimethylocta-1,4,6-triene.

Molecular Properties

Compound Name3,6-dimethylocta-1,4,6-triene
PubChem CID90763944
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name3,6-dimethylocta-1,4,6-triene
SMILESC=CC(C)C=CC(C)=CC
InChIInChI=1S/C10H16/c1-5-9(3)7-8-10(4)6-2/h5-9H,1H2,2-4H3
InChIKeyMEBVIMQAQGHSFG-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
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

(3S,4E)-3-methylhexa-1,4-diene
CID 173019569
2,6-dimethylocta-1,4,7-triene
CID 71437037
(3Z)-2,5-dimethylocta-1,3,6-triene
CID 144587604
(3E)-5-methylhepta-1,3,6-triene
CID 5367027
ethane;(2Z,4Z)-3-methylhexa-2,4-diene;prop-1-ene
CID 142046723
ethane;3-methylpenta-1,4-diene
CID 144868161
(4E,8E)-3,7-dimethyldeca-1,4,8-triene
CID 22679021
[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl] N,3-dimethylbut-3-enimidate
CID 135196032
butane;(4Z)-3,7-dimethylocta-1,4,6-triene;ethane
CID 143356307
3,6-dimethyl-7-methylidenetrideca-2,4,8,10-tetraene
CID 123823855
3,7-dimethyldeca-1,4,6-triene
CID 123725882
(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
CID 142516353

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethylocta-1,4,6-triene?
The IUPAC name of 3,6-dimethylocta-1,4,6-triene (CID 90763944) is 3,6-dimethylocta-1,4,6-triene.
What is the SMILES notation for 3,6-dimethylocta-1,4,6-triene?
The canonical SMILES for 3,6-dimethylocta-1,4,6-triene is C=CC(C)C=CC(C)=CC.
What is the InChIKey of 3,6-dimethylocta-1,4,6-triene?
The InChIKey is MEBVIMQAQGHSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-5-9(3)7-8-10(4)6-2/h5-9H,1H2,2-4H3.
What are the key properties of 3,6-dimethylocta-1,4,6-triene?
3,6-dimethylocta-1,4,6-triene has a molecular weight of 136.24 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylocta-1,4,6-triene is sourced from PubChem (CID 90763944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).