(2-hydroxy-3-tetradecoxypropyl)-trimethylazanium chloride

C20H44ClNO2 — CID 88503365

IUPAC(2-hydroxy-3-tetradecoxypropyl)-trimethylazanium chloride
SMILESCCCCCCCCCCCCCCOCC(O)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C20H44NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23-19-20(22)18-21(2,3)4;/h20,22H,5-19H2,1-4H3;1H/q+1;/p-1
InChIKeyIAEHZSUOVRDNGJ-UHFFFAOYSA-M
MW366.03 g/mol
LogP1.78
Rot. Bonds17

About (2-hydroxy-3-tetradecoxypropyl)-trimethylazanium chloride

(2-hydroxy-3-tetradecoxypropyl)-trimethylazanium chloride (PubChem CID 88503365) has the molecular formula C20H44ClNO2 and a molecular weight of 366.03 g/mol. Its IUPAC name is (2-hydroxy-3-tetradecoxypropyl)-trimethylazanium chloride.

Molecular Properties

Compound Name(2-hydroxy-3-tetradecoxypropyl)-trimethylazanium chloride
PubChem CID88503365
Molecular FormulaC20H44ClNO2
Molecular Weight366.03 g/mol
Exact Mass365.31
IUPAC Name(2-hydroxy-3-tetradecoxypropyl)-trimethylazanium chloride
SMILESCCCCCCCCCCCCCCOCC(O)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C20H44NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23-19-20(22)18-21(2,3)4;/h20,22H,5-19H2,1-4H3;1H/q+1;/p-1
InChIKeyIAEHZSUOVRDNGJ-UHFFFAOYSA-M
XLogP1.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.03
LogP ≤ 51.78
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
[3-(2-hexadecoxyethoxy)-2-hydroxypropyl]-trimethylazanium
CID 100925499
[2-hydroxy-3-(2-tetradecoxyethoxy)propyl]-trimethylazanium
CID 15825767
[2-hydroxy-3-[10-[2-hydroxy-3-(trimethylazaniumyl)propoxy]decoxy]propyl]-trimethylazanium dichloride
CID 71623864
triethyl-(2-hydroxy-3-tetradecoxypropyl)azanium chloride
CID 71335416
ethyl-hexadecyl-(2-hydroxy-3-tridecoxypropyl)-methylazanium chloride
CID 139898647
(3-dodecoxy-2-hydroxypropyl)-[4-[(3-dodecoxy-2-hydroxypropyl)-dimethylazaniumyl]butyl]-dimethylazanium dibromide
CID 175686312
(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-fluoro-3-nonoxypropan-2-ol
CID 139708466
1-octoxydecan-2-ol
CID 57119039

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-tetradecoxypropyl)-trimethylazanium chloride?
The IUPAC name of (2-hydroxy-3-tetradecoxypropyl)-trimethylazanium chloride (CID 88503365) is (2-hydroxy-3-tetradecoxypropyl)-trimethylazanium chloride.
What is the SMILES notation for (2-hydroxy-3-tetradecoxypropyl)-trimethylazanium chloride?
The canonical SMILES for (2-hydroxy-3-tetradecoxypropyl)-trimethylazanium chloride is CCCCCCCCCCCCCCOCC(O)C[N+](C)(C)C.[Cl-].
What is the InChIKey of (2-hydroxy-3-tetradecoxypropyl)-trimethylazanium chloride?
The InChIKey is IAEHZSUOVRDNGJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H44NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23-19-20(22)18-21(2,3)4;/h20,22H,5-19H2,1-4H3;1H/q+1;/p-1.
What are the key properties of (2-hydroxy-3-tetradecoxypropyl)-trimethylazanium chloride?
(2-hydroxy-3-tetradecoxypropyl)-trimethylazanium chloride has a molecular weight of 366.03 g/mol, XLogP of 1.78, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-tetradecoxypropyl)-trimethylazanium chloride is sourced from PubChem (CID 88503365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).