[(2E)-3,7-dimethylocta-2,6-dienyl]-triethylazanium

C16H32N+ — CID 15584888

IUPAC[(2E)-3,7-dimethylocta-2,6-dienyl]-triethylazanium
SMILESCC[N+](CC)(CC)C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C16H32N/c1-7-17(8-2,9-3)14-13-16(6)12-10-11-15(4)5/h11,13H,7-10,12,14H2,1-6H3/q+1/b16-13+
InChIKeyAEARGKNKGVVMRH-DTQAZKPQSA-N
MW238.44 g/mol
LogP4.56
Rot. Bonds8

About [(2E)-3,7-dimethylocta-2,6-dienyl]-triethylazanium

[(2E)-3,7-dimethylocta-2,6-dienyl]-triethylazanium (PubChem CID 15584888) has the molecular formula C16H32N+ and a molecular weight of 238.44 g/mol. Its IUPAC name is [(2E)-3,7-dimethylocta-2,6-dienyl]-triethylazanium.

Molecular Properties

Compound Name[(2E)-3,7-dimethylocta-2,6-dienyl]-triethylazanium
PubChem CID15584888
Molecular FormulaC16H32N+
Molecular Weight238.44 g/mol
Exact Mass238.25
IUPAC Name[(2E)-3,7-dimethylocta-2,6-dienyl]-triethylazanium
SMILESCC[N+](CC)(CC)C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C16H32N/c1-7-17(8-2,9-3)14-13-16(6)12-10-11-15(4)5/h11,13H,7-10,12,14H2,1-6H3/q+1/b16-13+
InChIKeyAEARGKNKGVVMRH-DTQAZKPQSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.44
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienyl]-triethylazanium?
The IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienyl]-triethylazanium (CID 15584888) is [(2E)-3,7-dimethylocta-2,6-dienyl]-triethylazanium.
What is the SMILES notation for [(2E)-3,7-dimethylocta-2,6-dienyl]-triethylazanium?
The canonical SMILES for [(2E)-3,7-dimethylocta-2,6-dienyl]-triethylazanium is CC[N+](CC)(CC)C/C=C(\C)CCC=C(C)C.
What is the InChIKey of [(2E)-3,7-dimethylocta-2,6-dienyl]-triethylazanium?
The InChIKey is AEARGKNKGVVMRH-DTQAZKPQSA-N. The full InChI is InChI=1S/C16H32N/c1-7-17(8-2,9-3)14-13-16(6)12-10-11-15(4)5/h11,13H,7-10,12,14H2,1-6H3/q+1/b16-13+.
What are the key properties of [(2E)-3,7-dimethylocta-2,6-dienyl]-triethylazanium?
[(2E)-3,7-dimethylocta-2,6-dienyl]-triethylazanium has a molecular weight of 238.44 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-3,7-dimethylocta-2,6-dienyl]-triethylazanium is sourced from PubChem (CID 15584888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).