triethyl(12-hydroxydodecyl)azanium

C18H40NO+ — CID 10570920

IUPACtriethyl(12-hydroxydodecyl)azanium
SMILESCC[N+](CC)(CC)CCCCCCCCCCCCO
InChIInChI=1S/C18H40NO/c1-4-19(5-2,6-3)17-15-13-11-9-7-8-10-12-14-16-18-20/h20H,4-18H2,1-3H3/q+1
InChIKeyWAHMJAOKHXRLKX-UHFFFAOYSA-N
MW286.52 g/mol
LogP4.76
Rot. Bonds15

About triethyl(12-hydroxydodecyl)azanium

triethyl(12-hydroxydodecyl)azanium (PubChem CID 10570920) has the molecular formula C18H40NO+ and a molecular weight of 286.52 g/mol. Its IUPAC name is triethyl(12-hydroxydodecyl)azanium.

Molecular Properties

Compound Nametriethyl(12-hydroxydodecyl)azanium
PubChem CID10570920
Molecular FormulaC18H40NO+
Molecular Weight286.52 g/mol
Exact Mass286.31
IUPAC Nametriethyl(12-hydroxydodecyl)azanium
SMILESCC[N+](CC)(CC)CCCCCCCCCCCCO
InChIInChI=1S/C18H40NO/c1-4-19(5-2,6-3)17-15-13-11-9-7-8-10-12-14-16-18-20/h20H,4-18H2,1-3H3/q+1
InChIKeyWAHMJAOKHXRLKX-UHFFFAOYSA-N
XLogP4.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.52
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl(12-hydroxydodecyl)azanium?
The IUPAC name of triethyl(12-hydroxydodecyl)azanium (CID 10570920) is triethyl(12-hydroxydodecyl)azanium.
What is the SMILES notation for triethyl(12-hydroxydodecyl)azanium?
The canonical SMILES for triethyl(12-hydroxydodecyl)azanium is CC[N+](CC)(CC)CCCCCCCCCCCCO.
What is the InChIKey of triethyl(12-hydroxydodecyl)azanium?
The InChIKey is WAHMJAOKHXRLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40NO/c1-4-19(5-2,6-3)17-15-13-11-9-7-8-10-12-14-16-18-20/h20H,4-18H2,1-3H3/q+1.
What are the key properties of triethyl(12-hydroxydodecyl)azanium?
triethyl(12-hydroxydodecyl)azanium has a molecular weight of 286.52 g/mol, XLogP of 4.76, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(12-hydroxydodecyl)azanium is sourced from PubChem (CID 10570920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).