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

C10H16 — CID 123877249

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

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

4,6-dimethylocta-1,4,6-triene (PubChem CID 123877249) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 4,6-dimethylocta-1,4,6-triene.

Molecular Properties

Compound Name4,6-dimethylocta-1,4,6-triene
PubChem CID123877249
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name4,6-dimethylocta-1,4,6-triene
SMILESC=CCC(C)=CC(C)=CC
InChIInChI=1S/C10H16/c1-5-7-10(4)8-9(3)6-2/h5-6,8H,1,7H2,2-4H3
InChIKeyHCRMTSCXTXFGDG-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

(4E,7E)-4,7-dimethylnona-1,4,7-triene
CID 173333591
3,6-dimethylnona-1,3,5,8-tetraene
CID 90934144
ethane;(4E,6Z)-4-methylocta-1,4,6-triene
CID 142893307
(1Z)-N-ethyl-2-methylpenta-1,4-dien-1-amine
CID 144887209
(4Z)-6-iodo-4-methylhexa-1,4-diene
CID 89280235
(2E)-3-methylhexa-2,5-dienal
CID 88529058
(3Z)-4-methylhepta-3,6-dien-1-ol
CID 14691517
(4Z)-4-iodohexa-1,4-diene
CID 88547743
(4E,7E)-4,6,7-trimethylnona-1,4,7-triene
CID 20695244
(3Z)-4-methylhepta-3,6-dienoic acid
CID 14197243
(4E,8E)-4,5,8-trimethyldeca-1,4,8-triene
CID 20598416
(3Z,5E)-5-bromo-3-methylhepta-1,3,5-triene
CID 143591783

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylocta-1,4,6-triene?
The IUPAC name of 4,6-dimethylocta-1,4,6-triene (CID 123877249) is 4,6-dimethylocta-1,4,6-triene.
What is the SMILES notation for 4,6-dimethylocta-1,4,6-triene?
The canonical SMILES for 4,6-dimethylocta-1,4,6-triene is C=CCC(C)=CC(C)=CC.
What is the InChIKey of 4,6-dimethylocta-1,4,6-triene?
The InChIKey is HCRMTSCXTXFGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-5-7-10(4)8-9(3)6-2/h5-6,8H,1,7H2,2-4H3.
What are the key properties of 4,6-dimethylocta-1,4,6-triene?
4,6-dimethylocta-1,4,6-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-1,4,6-triene is sourced from PubChem (CID 123877249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).