dodecyl-(hydroxymethyl)-dimethylazanium;ethyl(methoxy)phosphane

C18H43NO2P+ — CID 91040187

IUPACdodecyl-(hydroxymethyl)-dimethylazanium;ethyl(methoxy)phosphane
SMILESCCCCCCCCCCCC[N+](C)(C)CO.CCPOC
InChIInChI=1S/C15H34NO.C3H9OP/c1-4-5-6-7-8-9-10-11-12-13-14-16(2,3)15-17;1-3-5-4-2/h17H,4-15H2,1-3H3;5H,3H2,1-2H3/q+1;
InChIKeyVJDPAYKEBFHBOL-UHFFFAOYSA-N
MW336.52 g/mol
LogP5.18
Rot. Bonds14

About dodecyl-(hydroxymethyl)-dimethylazanium;ethyl(methoxy)phosphane

dodecyl-(hydroxymethyl)-dimethylazanium;ethyl(methoxy)phosphane (PubChem CID 91040187) has the molecular formula C18H43NO2P+ and a molecular weight of 336.52 g/mol. Its IUPAC name is dodecyl-(hydroxymethyl)-dimethylazanium;ethyl(methoxy)phosphane.

Molecular Properties

Compound Namedodecyl-(hydroxymethyl)-dimethylazanium;ethyl(methoxy)phosphane
PubChem CID91040187
Molecular FormulaC18H43NO2P+
Molecular Weight336.52 g/mol
Exact Mass336.30
IUPAC Namedodecyl-(hydroxymethyl)-dimethylazanium;ethyl(methoxy)phosphane
SMILESCCCCCCCCCCCC[N+](C)(C)CO.CCPOC
InChIInChI=1S/C15H34NO.C3H9OP/c1-4-5-6-7-8-9-10-11-12-13-14-16(2,3)15-17;1-3-5-4-2/h17H,4-15H2,1-3H3;5H,3H2,1-2H3/q+1;
InChIKeyVJDPAYKEBFHBOL-UHFFFAOYSA-N
XLogP5.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dodecyl-(hydroxymethyl)-dimethylazanium bromide
CID 139953052
hydroxymethyl-dimethyl-nonylazanium bromide
CID 139953506
dodecyl-dimethyl-undecylazanium
CID 21491028
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
decyl-dimethyl-tetradecylazanium
CID 13075680
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288
decyl-heptadecyl-dimethylazanium
CID 22158969
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 12958280
decyl-[5-[decyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
CID 12958282

Frequently Asked Questions

What is the IUPAC name of dodecyl-(hydroxymethyl)-dimethylazanium;ethyl(methoxy)phosphane?
The IUPAC name of dodecyl-(hydroxymethyl)-dimethylazanium;ethyl(methoxy)phosphane (CID 91040187) is dodecyl-(hydroxymethyl)-dimethylazanium;ethyl(methoxy)phosphane.
What is the SMILES notation for dodecyl-(hydroxymethyl)-dimethylazanium;ethyl(methoxy)phosphane?
The canonical SMILES for dodecyl-(hydroxymethyl)-dimethylazanium;ethyl(methoxy)phosphane is CCCCCCCCCCCC[N+](C)(C)CO.CCPOC.
What is the InChIKey of dodecyl-(hydroxymethyl)-dimethylazanium;ethyl(methoxy)phosphane?
The InChIKey is VJDPAYKEBFHBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34NO.C3H9OP/c1-4-5-6-7-8-9-10-11-12-13-14-16(2,3)15-17;1-3-5-4-2/h17H,4-15H2,1-3H3;5H,3H2,1-2H3/q+1;.
What are the key properties of dodecyl-(hydroxymethyl)-dimethylazanium;ethyl(methoxy)phosphane?
dodecyl-(hydroxymethyl)-dimethylazanium;ethyl(methoxy)phosphane has a molecular weight of 336.52 g/mol, XLogP of 5.18, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-(hydroxymethyl)-dimethylazanium;ethyl(methoxy)phosphane is sourced from PubChem (CID 91040187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).