[(2R)-3-oxooctadecan-2-yl]azanium chloride

C18H38ClNO — CID 158532608

IUPAC[(2R)-3-oxooctadecan-2-yl]azanium chloride
SMILESCCCCCCCCCCCCCCCC(=O)[C@@H](C)[NH3+].[Cl-]
InChIInChI=1S/C18H37NO.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19;/h17H,3-16,19H2,1-2H3;1H/t17-;/m1./s1
InChIKeyCJIILUGXXXKRTA-UNTBIKODSA-N
MW319.96 g/mol
LogP1.67
Rot. Bonds15

About [(2R)-3-oxooctadecan-2-yl]azanium chloride

[(2R)-3-oxooctadecan-2-yl]azanium chloride (PubChem CID 158532608) has the molecular formula C18H38ClNO and a molecular weight of 319.96 g/mol. Its IUPAC name is [(2R)-3-oxooctadecan-2-yl]azanium chloride.

Molecular Properties

Compound Name[(2R)-3-oxooctadecan-2-yl]azanium chloride
PubChem CID158532608
Molecular FormulaC18H38ClNO
Molecular Weight319.96 g/mol
Exact Mass319.26
IUPAC Name[(2R)-3-oxooctadecan-2-yl]azanium chloride
SMILESCCCCCCCCCCCCCCCC(=O)[C@@H](C)[NH3+].[Cl-]
InChIInChI=1S/C18H37NO.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19;/h17H,3-16,19H2,1-2H3;1H/t17-;/m1./s1
InChIKeyCJIILUGXXXKRTA-UNTBIKODSA-N
XLogP1.67
TPSA44.71 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.96
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

25-methylnonatetracontane-24,26-dione
CID 173069947
2-methylhexadecan-3-one
CID 58030381
2-hydroxyicosan-3-one
CID 57023276
[(2S)-1-hydroxy-3-oxoicosan-2-yl]azanium
CID 70678614
2-chloroheptadecan-3-one
CID 88651520
(3S)-2,3-dimethylnonadecan-4-one
CID 174010260
sodium;hydride;2-hydroxytetradecan-3-one
CID 173221768
9-silylheptadecane-8,10-dione
CID 175052946
2-amino-3-methyldodecan-4-one
CID 116612115
2-methyl-3-oxooctadecanamide
CID 141179225
2-trimethylsilylundecan-3-one
CID 13048489
2-(dimethylamino)docosan-3-one
CID 174986692

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-oxooctadecan-2-yl]azanium chloride?
The IUPAC name of [(2R)-3-oxooctadecan-2-yl]azanium chloride (CID 158532608) is [(2R)-3-oxooctadecan-2-yl]azanium chloride.
What is the SMILES notation for [(2R)-3-oxooctadecan-2-yl]azanium chloride?
The canonical SMILES for [(2R)-3-oxooctadecan-2-yl]azanium chloride is CCCCCCCCCCCCCCCC(=O)[C@@H](C)[NH3+].[Cl-].
What is the InChIKey of [(2R)-3-oxooctadecan-2-yl]azanium chloride?
The InChIKey is CJIILUGXXXKRTA-UNTBIKODSA-N. The full InChI is InChI=1S/C18H37NO.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19;/h17H,3-16,19H2,1-2H3;1H/t17-;/m1./s1.
What are the key properties of [(2R)-3-oxooctadecan-2-yl]azanium chloride?
[(2R)-3-oxooctadecan-2-yl]azanium chloride has a molecular weight of 319.96 g/mol, XLogP of 1.67, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-oxooctadecan-2-yl]azanium chloride is sourced from PubChem (CID 158532608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).