[2-hydroxy-3-(2-tetradecoxyethoxy)propyl]-trimethylazanium

C22H48NO3+ — CID 15825767

IUPAC[2-hydroxy-3-(2-tetradecoxyethoxy)propyl]-trimethylazanium
SMILESCCCCCCCCCCCCCCOCCOCC(O)C[N+](C)(C)C
InChIInChI=1S/C22H48NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-25-18-19-26-21-22(24)20-23(2,3)4/h22,24H,5-21H2,1-4H3/q+1
InChIKeyXLHSZIMVXPZIBL-UHFFFAOYSA-N
MW374.63 g/mol
LogP4.79
Rot. Bonds20

About [2-hydroxy-3-(2-tetradecoxyethoxy)propyl]-trimethylazanium

[2-hydroxy-3-(2-tetradecoxyethoxy)propyl]-trimethylazanium (PubChem CID 15825767) has the molecular formula C22H48NO3+ and a molecular weight of 374.63 g/mol. Its IUPAC name is [2-hydroxy-3-(2-tetradecoxyethoxy)propyl]-trimethylazanium.

Molecular Properties

Compound Name[2-hydroxy-3-(2-tetradecoxyethoxy)propyl]-trimethylazanium
PubChem CID15825767
Molecular FormulaC22H48NO3+
Molecular Weight374.63 g/mol
Exact Mass374.36
IUPAC Name[2-hydroxy-3-(2-tetradecoxyethoxy)propyl]-trimethylazanium
SMILESCCCCCCCCCCCCCCOCCOCC(O)C[N+](C)(C)C
InChIInChI=1S/C22H48NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-25-18-19-26-21-22(24)20-23(2,3)4/h22,24H,5-21H2,1-4H3/q+1
InChIKeyXLHSZIMVXPZIBL-UHFFFAOYSA-N
XLogP4.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.63
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

[3-(2-hexadecoxyethoxy)-2-hydroxypropyl]-trimethylazanium
CID 100925499
(3-dodecoxy-2-hydroxypropyl)-trimethylazanium chloride
CID 86243846
(2-hydroxy-3-tetradecoxypropyl)-trimethylazanium chloride
CID 88503365
(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
CID 40535127
[2-hydroxy-3-[10-[2-hydroxy-3-(trimethylazaniumyl)propoxy]decoxy]propyl]-trimethylazanium dichloride
CID 71623864
hexadecyl-[3-[2-[2-[3-[hexadecyl(dimethyl)azaniumyl]-2-hydroxypropoxy]ethoxy]ethoxy]-2-hydroxypropyl]-dimethylazanium
CID 175685678
[3-[2-[2-[2-[3-[didodecyl(methyl)azaniumyl]-2-hydroxypropoxy]ethoxy]ethoxy]ethoxy]-2-hydroxypropyl]-didodecyl-methylazanium
CID 100954703
carboxymethyl-[3-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]-2-hydroxypropyl]-dimethylazanium
CID 102439976
1,4-dioctoxybutan-2-ol
CID 91047029
(3-dodecoxy-2-hydroxypropyl)-[4-[(3-dodecoxy-2-hydroxypropyl)-dimethylazaniumyl]butyl]-dimethylazanium dibromide
CID 175686312
(2S)-1-octoxybutan-2-ol
CID 88988399
1-icosoxybutan-2-ol
CID 58176389

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(2-tetradecoxyethoxy)propyl]-trimethylazanium?
The IUPAC name of [2-hydroxy-3-(2-tetradecoxyethoxy)propyl]-trimethylazanium (CID 15825767) is [2-hydroxy-3-(2-tetradecoxyethoxy)propyl]-trimethylazanium.
What is the SMILES notation for [2-hydroxy-3-(2-tetradecoxyethoxy)propyl]-trimethylazanium?
The canonical SMILES for [2-hydroxy-3-(2-tetradecoxyethoxy)propyl]-trimethylazanium is CCCCCCCCCCCCCCOCCOCC(O)C[N+](C)(C)C.
What is the InChIKey of [2-hydroxy-3-(2-tetradecoxyethoxy)propyl]-trimethylazanium?
The InChIKey is XLHSZIMVXPZIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-25-18-19-26-21-22(24)20-23(2,3)4/h22,24H,5-21H2,1-4H3/q+1.
What are the key properties of [2-hydroxy-3-(2-tetradecoxyethoxy)propyl]-trimethylazanium?
[2-hydroxy-3-(2-tetradecoxyethoxy)propyl]-trimethylazanium has a molecular weight of 374.63 g/mol, XLogP of 4.79, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(2-tetradecoxyethoxy)propyl]-trimethylazanium is sourced from PubChem (CID 15825767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).