2,3,4,5,6,7-hexamethylocta-2,4,6-triene

C14H24 — CID 58944348

IUPAC2,3,4,5,6,7-hexamethylocta-2,4,6-triene
SMILESCC(C)=C(C)C(C)=C(C)C(C)=C(C)C
InChIInChI=1S/C14H24/c1-9(2)11(5)13(7)14(8)12(6)10(3)4/h1-8H3
InChIKeyJRJYAJRSPXATDD-UHFFFAOYSA-N
MW192.35 g/mol
LogP5.04
Rot. Bonds2

About 2,3,4,5,6,7-hexamethylocta-2,4,6-triene

2,3,4,5,6,7-hexamethylocta-2,4,6-triene (PubChem CID 58944348) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 2,3,4,5,6,7-hexamethylocta-2,4,6-triene.

Molecular Properties

Compound Name2,3,4,5,6,7-hexamethylocta-2,4,6-triene
PubChem CID58944348
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name2,3,4,5,6,7-hexamethylocta-2,4,6-triene
SMILESCC(C)=C(C)C(C)=C(C)C(C)=C(C)C
InChIInChI=1S/C14H24/c1-9(2)11(5)13(7)14(8)12(6)10(3)4/h1-8H3
InChIKeyJRJYAJRSPXATDD-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500192.35
LogP ≤ 55.04
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 2,3,4,5,6,7-hexamethylocta-2,4,6-triene?
The IUPAC name of 2,3,4,5,6,7-hexamethylocta-2,4,6-triene (CID 58944348) is 2,3,4,5,6,7-hexamethylocta-2,4,6-triene.
What is the SMILES notation for 2,3,4,5,6,7-hexamethylocta-2,4,6-triene?
The canonical SMILES for 2,3,4,5,6,7-hexamethylocta-2,4,6-triene is CC(C)=C(C)C(C)=C(C)C(C)=C(C)C.
What is the InChIKey of 2,3,4,5,6,7-hexamethylocta-2,4,6-triene?
The InChIKey is JRJYAJRSPXATDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-9(2)11(5)13(7)14(8)12(6)10(3)4/h1-8H3.
What are the key properties of 2,3,4,5,6,7-hexamethylocta-2,4,6-triene?
2,3,4,5,6,7-hexamethylocta-2,4,6-triene has a molecular weight of 192.35 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7-hexamethylocta-2,4,6-triene is sourced from PubChem (CID 58944348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).