2-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethyl-trimethylazanium

C15H30NO+ — CID 175899757

IUPAC2-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethyl-trimethylazanium
SMILESCC(C)=CCC/C(C)=C/COCC[N+](C)(C)C
InChIInChI=1S/C15H30NO/c1-14(2)8-7-9-15(3)10-12-17-13-11-16(4,5)6/h8,10H,7,9,11-13H2,1-6H3/q+1/b15-10+
InChIKeySVXHFZIBILVTCS-XNTDXEJSSA-N
MW240.41 g/mol
LogP3.40
Rot. Bonds8

About 2-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethyl-trimethylazanium

2-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethyl-trimethylazanium (PubChem CID 175899757) has the molecular formula C15H30NO+ and a molecular weight of 240.41 g/mol. Its IUPAC name is 2-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethyl-trimethylazanium.

Molecular Properties

Compound Name2-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethyl-trimethylazanium
PubChem CID175899757
Molecular FormulaC15H30NO+
Molecular Weight240.41 g/mol
Exact Mass240.23
IUPAC Name2-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethyl-trimethylazanium
SMILESCC(C)=CCC/C(C)=C/COCC[N+](C)(C)C
InChIInChI=1S/C15H30NO/c1-14(2)8-7-9-15(3)10-12-17-13-11-16(4,5)6/h8,10H,7,9,11-13H2,1-6H3/q+1/b15-10+
InChIKeySVXHFZIBILVTCS-XNTDXEJSSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethyl-trimethylazanium?
The IUPAC name of 2-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethyl-trimethylazanium (CID 175899757) is 2-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethyl-trimethylazanium.
What is the SMILES notation for 2-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethyl-trimethylazanium?
The canonical SMILES for 2-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethyl-trimethylazanium is CC(C)=CCC/C(C)=C/COCC[N+](C)(C)C.
What is the InChIKey of 2-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethyl-trimethylazanium?
The InChIKey is SVXHFZIBILVTCS-XNTDXEJSSA-N. The full InChI is InChI=1S/C15H30NO/c1-14(2)8-7-9-15(3)10-12-17-13-11-16(4,5)6/h8,10H,7,9,11-13H2,1-6H3/q+1/b15-10+.
What are the key properties of 2-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethyl-trimethylazanium?
2-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethyl-trimethylazanium has a molecular weight of 240.41 g/mol, XLogP of 3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethyl-trimethylazanium is sourced from PubChem (CID 175899757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).