2,6-dimethylocta-1,3,5,7-tetraene

C10H14 — CID 562418

IUPAC2,6-dimethylocta-1,3,5,7-tetraene
SMILESC=CC(C)=CC=CC(=C)C
InChIInChI=1S/C10H14/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-2H2,3-4H3
InChIKeyHPZWSJQQCJZBBG-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.25
Rot. Bonds3

About 2,6-dimethylocta-1,3,5,7-tetraene

2,6-dimethylocta-1,3,5,7-tetraene (PubChem CID 562418) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 2,6-dimethylocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name2,6-dimethylocta-1,3,5,7-tetraene
PubChem CID562418
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name2,6-dimethylocta-1,3,5,7-tetraene
SMILESC=CC(C)=CC=CC(=C)C
InChIInChI=1S/C10H14/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-2H2,3-4H3
InChIKeyHPZWSJQQCJZBBG-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylocta-1,3,5,7-tetraene?
The IUPAC name of 2,6-dimethylocta-1,3,5,7-tetraene (CID 562418) is 2,6-dimethylocta-1,3,5,7-tetraene.
What is the SMILES notation for 2,6-dimethylocta-1,3,5,7-tetraene?
The canonical SMILES for 2,6-dimethylocta-1,3,5,7-tetraene is C=CC(C)=CC=CC(=C)C.
What is the InChIKey of 2,6-dimethylocta-1,3,5,7-tetraene?
The InChIKey is HPZWSJQQCJZBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-2H2,3-4H3.
What are the key properties of 2,6-dimethylocta-1,3,5,7-tetraene?
2,6-dimethylocta-1,3,5,7-tetraene has a molecular weight of 134.22 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylocta-1,3,5,7-tetraene is sourced from PubChem (CID 562418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).