lithium;hydride;12-hydroxyoctadecanoic acid

C18H37LiO3 — CID 173002227

IUPAClithium;hydride;12-hydroxyoctadecanoic acid
SMILESCCCCCCC(O)CCCCCCCCCCC(=O)O.[H-].[Li+]
InChIInChI=1S/C18H36O3.Li.H/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;;/h17,19H,2-16H2,1H3,(H,20,21);;/q;+1;-1
InChIKeyQDRFOJXSKFPQGA-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.42
Rot. Bonds16

About lithium;hydride;12-hydroxyoctadecanoic acid

lithium;hydride;12-hydroxyoctadecanoic acid (PubChem CID 173002227) has the molecular formula C18H37LiO3 and a molecular weight of 308.43 g/mol. Its IUPAC name is lithium;hydride;12-hydroxyoctadecanoic acid.

Molecular Properties

Compound Namelithium;hydride;12-hydroxyoctadecanoic acid
PubChem CID173002227
Molecular FormulaC18H37LiO3
Molecular Weight308.43 g/mol
Exact Mass308.29
IUPAC Namelithium;hydride;12-hydroxyoctadecanoic acid
SMILESCCCCCCC(O)CCCCCCCCCCC(=O)O.[H-].[Li+]
InChIInChI=1S/C18H36O3.Li.H/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;;/h17,19H,2-16H2,1H3,(H,20,21);;/q;+1;-1
InChIKeyQDRFOJXSKFPQGA-UHFFFAOYSA-N
XLogP2.42
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium;hydride;9-hydroxyoctadecanoic acid
CID 173128600
magnesium;hydride;12-hydroxyoctadecanoic acid
CID 173003341
calcium;hydride;9-hydroxyoctadecanoic acid
CID 174336472
magnesium;hydride;12-hydroxyoctadecanoic acid;octadecanoic acid
CID 174873714
21-hydroxyheptacosanoic acid
CID 169277079
(9R)-9-hydroxytetradecanoic acid
CID 22822871
14-hydroxypentacosanoic acid
CID 169276940
12-hydroxyheptadecanoic acid
CID 15110021
9-hydroxytriacontanoic acid
CID 169277258
hexadecan-7-ol;octadecanoic acid
CID 174589795
9-hydroxyheptadecanoic acid
CID 86012010
11-hydroxydocosanoic acid
CID 86066603

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;12-hydroxyoctadecanoic acid?
The IUPAC name of lithium;hydride;12-hydroxyoctadecanoic acid (CID 173002227) is lithium;hydride;12-hydroxyoctadecanoic acid.
What is the SMILES notation for lithium;hydride;12-hydroxyoctadecanoic acid?
The canonical SMILES for lithium;hydride;12-hydroxyoctadecanoic acid is CCCCCCC(O)CCCCCCCCCCC(=O)O.[H-].[Li+].
What is the InChIKey of lithium;hydride;12-hydroxyoctadecanoic acid?
The InChIKey is QDRFOJXSKFPQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3.Li.H/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;;/h17,19H,2-16H2,1H3,(H,20,21);;/q;+1;-1.
What are the key properties of lithium;hydride;12-hydroxyoctadecanoic acid?
lithium;hydride;12-hydroxyoctadecanoic acid has a molecular weight of 308.43 g/mol, XLogP of 2.42, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;12-hydroxyoctadecanoic acid is sourced from PubChem (CID 173002227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).