triethyl-(2-hydroxy-3-tetradecoxypropyl)azanium chloride

C23H50ClNO2 — CID 71335416

IUPACtriethyl-(2-hydroxy-3-tetradecoxypropyl)azanium chloride
SMILESCCCCCCCCCCCCCCOCC(O)C[N+](CC)(CC)CC.[Cl-]
InChIInChI=1S/C23H50NO2.ClH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-26-22-23(25)21-24(6-2,7-3)8-4;/h23,25H,5-22H2,1-4H3;1H/q+1;/p-1
InChIKeyYUNFZQPJPGYEQO-UHFFFAOYSA-M
MW408.11 g/mol
LogP2.95
Rot. Bonds20

About triethyl-(2-hydroxy-3-tetradecoxypropyl)azanium chloride

triethyl-(2-hydroxy-3-tetradecoxypropyl)azanium chloride (PubChem CID 71335416) has the molecular formula C23H50ClNO2 and a molecular weight of 408.11 g/mol. Its IUPAC name is triethyl-(2-hydroxy-3-tetradecoxypropyl)azanium chloride.

Molecular Properties

Compound Nametriethyl-(2-hydroxy-3-tetradecoxypropyl)azanium chloride
PubChem CID71335416
Molecular FormulaC23H50ClNO2
Molecular Weight408.11 g/mol
Exact Mass407.35
IUPAC Nametriethyl-(2-hydroxy-3-tetradecoxypropyl)azanium chloride
SMILESCCCCCCCCCCCCCCOCC(O)C[N+](CC)(CC)CC.[Cl-]
InChIInChI=1S/C23H50NO2.ClH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-26-22-23(25)21-24(6-2,7-3)8-4;/h23,25H,5-22H2,1-4H3;1H/q+1;/p-1
InChIKeyYUNFZQPJPGYEQO-UHFFFAOYSA-M
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.11
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-dodecoxy-2-hydroxypropyl)-trimethylazanium chloride
CID 86243846
(2-hydroxy-3-tetradecoxypropyl)-trimethylazanium chloride
CID 88503365
ethyl-hexadecyl-(2-hydroxy-3-tridecoxypropyl)-methylazanium chloride
CID 139898647
[3-(2-hexadecoxyethoxy)-2-hydroxypropyl]-trimethylazanium
CID 100925499
[2-hydroxy-3-(2-tetradecoxyethoxy)propyl]-trimethylazanium
CID 15825767
[2-hydroxy-3-[(Z)-octadec-9-enoxy]propyl]-tripropylazanium chloride
CID 88503370
(2S)-1-octoxybutan-2-ol
CID 88988399
(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
CID 40535127
1-icosoxybutan-2-ol
CID 58176389
1-decoxy-3-(3-decoxy-2-hydroxypropyl)sulfanylpropan-2-ol
CID 22141570
1-fluoro-3-nonoxypropan-2-ol
CID 139708466
1-fluoro-3-tridecoxypropan-2-ol
CID 139708468

Frequently Asked Questions

What is the IUPAC name of triethyl-(2-hydroxy-3-tetradecoxypropyl)azanium chloride?
The IUPAC name of triethyl-(2-hydroxy-3-tetradecoxypropyl)azanium chloride (CID 71335416) is triethyl-(2-hydroxy-3-tetradecoxypropyl)azanium chloride.
What is the SMILES notation for triethyl-(2-hydroxy-3-tetradecoxypropyl)azanium chloride?
The canonical SMILES for triethyl-(2-hydroxy-3-tetradecoxypropyl)azanium chloride is CCCCCCCCCCCCCCOCC(O)C[N+](CC)(CC)CC.[Cl-].
What is the InChIKey of triethyl-(2-hydroxy-3-tetradecoxypropyl)azanium chloride?
The InChIKey is YUNFZQPJPGYEQO-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H50NO2.ClH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-26-22-23(25)21-24(6-2,7-3)8-4;/h23,25H,5-22H2,1-4H3;1H/q+1;/p-1.
What are the key properties of triethyl-(2-hydroxy-3-tetradecoxypropyl)azanium chloride?
triethyl-(2-hydroxy-3-tetradecoxypropyl)azanium chloride has a molecular weight of 408.11 g/mol, XLogP of 2.95, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(2-hydroxy-3-tetradecoxypropyl)azanium chloride is sourced from PubChem (CID 71335416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).