lithium;hexadecyl 2-hydroxypropanoate;hydride

C19H39LiO3 — CID 174573457

IUPAClithium;hexadecyl 2-hydroxypropanoate;hydride
SMILESCCCCCCCCCCCCCCCCOC(=O)C(C)O.[H-].[Li+]
InChIInChI=1S/C19H38O3.Li.H/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19(21)18(2)20;;/h18,20H,3-17H2,1-2H3;;/q;+1;-1
InChIKeyUJACDVRXZPHOMU-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.51
Rot. Bonds16

About lithium;hexadecyl 2-hydroxypropanoate;hydride

lithium;hexadecyl 2-hydroxypropanoate;hydride (PubChem CID 174573457) has the molecular formula C19H39LiO3 and a molecular weight of 322.46 g/mol. Its IUPAC name is lithium;hexadecyl 2-hydroxypropanoate;hydride.

Molecular Properties

Compound Namelithium;hexadecyl 2-hydroxypropanoate;hydride
PubChem CID174573457
Molecular FormulaC19H39LiO3
Molecular Weight322.46 g/mol
Exact Mass322.31
IUPAC Namelithium;hexadecyl 2-hydroxypropanoate;hydride
SMILESCCCCCCCCCCCCCCCCOC(=O)C(C)O.[H-].[Li+]
InChIInChI=1S/C19H38O3.Li.H/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19(21)18(2)20;;/h18,20H,3-17H2,1-2H3;;/q;+1;-1
InChIKeyUJACDVRXZPHOMU-UHFFFAOYSA-N
XLogP2.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

octadecyl 2-hydroxypropanoate;zinc
CID 174699116
tetradecyl 2-hydroxypropanoate;tetradecyl tetradecanoate
CID 89266925
2-(2-octoxyethoxy)ethyl 2-hydroxypropanoate
CID 122514665
2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl 2-hydroxypropanoate
CID 56949346
hexyl 2-hydroxypropanoate;2-hydroxy-2-methyloctanoic acid
CID 175941066
didodecyl (2S,3S)-2,3-dihydroxybutanedioate
CID 95239962
dihexyl 2,3-dihydroxybutanedioate
CID 13021195
dodecyl 2-methyltetradecanoate
CID 88541423
dodecyl 2-methylhexanoate
CID 20682052
hexyl 2-methyldodecanoate
CID 174392697
sodium;hexadecyl (2S)-2-aminopropanoate;hydride
CID 174388601
decyl 2-methylhexanoate
CID 86220664

Frequently Asked Questions

What is the IUPAC name of lithium;hexadecyl 2-hydroxypropanoate;hydride?
The IUPAC name of lithium;hexadecyl 2-hydroxypropanoate;hydride (CID 174573457) is lithium;hexadecyl 2-hydroxypropanoate;hydride.
What is the SMILES notation for lithium;hexadecyl 2-hydroxypropanoate;hydride?
The canonical SMILES for lithium;hexadecyl 2-hydroxypropanoate;hydride is CCCCCCCCCCCCCCCCOC(=O)C(C)O.[H-].[Li+].
What is the InChIKey of lithium;hexadecyl 2-hydroxypropanoate;hydride?
The InChIKey is UJACDVRXZPHOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O3.Li.H/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19(21)18(2)20;;/h18,20H,3-17H2,1-2H3;;/q;+1;-1.
What are the key properties of lithium;hexadecyl 2-hydroxypropanoate;hydride?
lithium;hexadecyl 2-hydroxypropanoate;hydride has a molecular weight of 322.46 g/mol, XLogP of 2.51, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hexadecyl 2-hydroxypropanoate;hydride is sourced from PubChem (CID 174573457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).