dodecyl-hex-5-enyl-dimethylazanium

C20H42N+ — CID 14625828

IUPACdodecyl-hex-5-enyl-dimethylazanium
SMILESC=CCCCC[N+](C)(C)CCCCCCCCCCCC
InChIInChI=1S/C20H42N/c1-5-7-9-11-12-13-14-15-16-18-20-21(3,4)19-17-10-8-6-2/h6H,2,5,7-20H2,1,3-4H3/q+1
InChIKeyZWBNCLQSDGIMGH-UHFFFAOYSA-N
MW296.56 g/mol
LogP6.34
Rot. Bonds16

About dodecyl-hex-5-enyl-dimethylazanium

dodecyl-hex-5-enyl-dimethylazanium (PubChem CID 14625828) has the molecular formula C20H42N+ and a molecular weight of 296.56 g/mol. Its IUPAC name is dodecyl-hex-5-enyl-dimethylazanium.

Molecular Properties

Compound Namedodecyl-hex-5-enyl-dimethylazanium
PubChem CID14625828
Molecular FormulaC20H42N+
Molecular Weight296.56 g/mol
Exact Mass296.33
IUPAC Namedodecyl-hex-5-enyl-dimethylazanium
SMILESC=CCCCC[N+](C)(C)CCCCCCCCCCCC
InChIInChI=1S/C20H42N/c1-5-7-9-11-12-13-14-15-16-18-20-21(3,4)19-17-10-8-6-2/h6H,2,5,7-20H2,1,3-4H3/q+1
InChIKeyZWBNCLQSDGIMGH-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.56
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Related Compounds

dec-9-enyl-ethyl-dimethylazanium
CID 129287044
bismuthane;oct-1-ene;sulfane
CID 174601016
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadec-1-ene;tetradec-1-ene
CID 158470925
octadecane;octadec-1-ene
CID 162018238
dec-1-ene;ethene
CID 161044144
oct-1-ene;hydrobromide
CID 88838560
oct-1-ene;tetrahydrochloride
CID 172847494
dodec-1-ene;ethene
CID 158697165

Frequently Asked Questions

What is the IUPAC name of dodecyl-hex-5-enyl-dimethylazanium?
The IUPAC name of dodecyl-hex-5-enyl-dimethylazanium (CID 14625828) is dodecyl-hex-5-enyl-dimethylazanium.
What is the SMILES notation for dodecyl-hex-5-enyl-dimethylazanium?
The canonical SMILES for dodecyl-hex-5-enyl-dimethylazanium is C=CCCCC[N+](C)(C)CCCCCCCCCCCC.
What is the InChIKey of dodecyl-hex-5-enyl-dimethylazanium?
The InChIKey is ZWBNCLQSDGIMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N/c1-5-7-9-11-12-13-14-15-16-18-20-21(3,4)19-17-10-8-6-2/h6H,2,5,7-20H2,1,3-4H3/q+1.
What are the key properties of dodecyl-hex-5-enyl-dimethylazanium?
dodecyl-hex-5-enyl-dimethylazanium has a molecular weight of 296.56 g/mol, XLogP of 6.34, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-hex-5-enyl-dimethylazanium is sourced from PubChem (CID 14625828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).