triethyl-(2-hydroxy-4-oxopentadecyl)azanium chloride

C21H44ClNO2 — CID 71345851

IUPACtriethyl-(2-hydroxy-4-oxopentadecyl)azanium chloride
SMILESCCCCCCCCCCCC(=O)CC(O)C[N+](CC)(CC)CC.[Cl-]
InChIInChI=1S/C21H44NO2.ClH/c1-5-9-10-11-12-13-14-15-16-17-20(23)18-21(24)19-22(6-2,7-3)8-4;/h21,24H,5-19H2,1-4H3;1H/q+1;/p-1
InChIKeyCNLSEPLQBDDKIB-UHFFFAOYSA-M
MW378.04 g/mol
LogP2.11
Rot. Bonds17

About triethyl-(2-hydroxy-4-oxopentadecyl)azanium chloride

triethyl-(2-hydroxy-4-oxopentadecyl)azanium chloride (PubChem CID 71345851) has the molecular formula C21H44ClNO2 and a molecular weight of 378.04 g/mol. Its IUPAC name is triethyl-(2-hydroxy-4-oxopentadecyl)azanium chloride.

Molecular Properties

Compound Nametriethyl-(2-hydroxy-4-oxopentadecyl)azanium chloride
PubChem CID71345851
Molecular FormulaC21H44ClNO2
Molecular Weight378.04 g/mol
Exact Mass377.31
IUPAC Nametriethyl-(2-hydroxy-4-oxopentadecyl)azanium chloride
SMILESCCCCCCCCCCCC(=O)CC(O)C[N+](CC)(CC)CC.[Cl-]
InChIInChI=1S/C21H44NO2.ClH/c1-5-9-10-11-12-13-14-15-16-17-20(23)18-21(24)19-22(6-2,7-3)8-4;/h21,24H,5-19H2,1-4H3;1H/q+1;/p-1
InChIKeyCNLSEPLQBDDKIB-UHFFFAOYSA-M
XLogP2.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.04
LogP ≤ 52.11
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

11-hydroxynonadecan-9-one
CID 100944351
6,13,24,31-tetrahydroxyhexatriacontane-8,15,22,29-tetrone
CID 163056640
4-hydroxytricosan-6-one
CID 131751829
6-hydroxypentacosan-8-one
CID 131751819
1,2-dihydroxyhexacosan-4-one;hydrate
CID 141328016
diethyl-bis(2-hydroxyoctadecyl)azanium
CID 87485122
2-hydroxyundecan-4-one
CID 57218315
2-methylhexadecan-4-one
CID 63411798
(2S)-2-hydroxy-4-oxodecanoic acid
CID 54543657
triethyl-(2-hydroxy-3-tetradecoxypropyl)azanium chloride
CID 71335416
2-carboxyethyl-diethyl-(2-hydroxyoctyl)azanium
CID 101276731
(22S)-22-hydroxytetratriacontan-13-one
CID 162898768

Frequently Asked Questions

What is the IUPAC name of triethyl-(2-hydroxy-4-oxopentadecyl)azanium chloride?
The IUPAC name of triethyl-(2-hydroxy-4-oxopentadecyl)azanium chloride (CID 71345851) is triethyl-(2-hydroxy-4-oxopentadecyl)azanium chloride.
What is the SMILES notation for triethyl-(2-hydroxy-4-oxopentadecyl)azanium chloride?
The canonical SMILES for triethyl-(2-hydroxy-4-oxopentadecyl)azanium chloride is CCCCCCCCCCCC(=O)CC(O)C[N+](CC)(CC)CC.[Cl-].
What is the InChIKey of triethyl-(2-hydroxy-4-oxopentadecyl)azanium chloride?
The InChIKey is CNLSEPLQBDDKIB-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H44NO2.ClH/c1-5-9-10-11-12-13-14-15-16-17-20(23)18-21(24)19-22(6-2,7-3)8-4;/h21,24H,5-19H2,1-4H3;1H/q+1;/p-1.
What are the key properties of triethyl-(2-hydroxy-4-oxopentadecyl)azanium chloride?
triethyl-(2-hydroxy-4-oxopentadecyl)azanium chloride has a molecular weight of 378.04 g/mol, XLogP of 2.11, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(2-hydroxy-4-oxopentadecyl)azanium chloride is sourced from PubChem (CID 71345851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).