lithium;hydride;octadecaneperoxoic acid

C18H37LiO3 — CID 173037900

IUPAClithium;hydride;octadecaneperoxoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)OO.[H-].[Li+]
InChIInChI=1S/C18H36O3.Li.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)21-20;;/h20H,2-17H2,1H3;;/q;+1;-1
InChIKeyVDJDDFVBGNSQBK-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.38
Rot. Bonds16

About lithium;hydride;octadecaneperoxoic acid

lithium;hydride;octadecaneperoxoic acid (PubChem CID 173037900) has the molecular formula C18H37LiO3 and a molecular weight of 308.43 g/mol. Its IUPAC name is lithium;hydride;octadecaneperoxoic acid.

Molecular Properties

Compound Namelithium;hydride;octadecaneperoxoic acid
PubChem CID173037900
Molecular FormulaC18H37LiO3
Molecular Weight308.43 g/mol
Exact Mass308.29
IUPAC Namelithium;hydride;octadecaneperoxoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)OO.[H-].[Li+]
InChIInChI=1S/C18H36O3.Li.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)21-20;;/h20H,2-17H2,1H3;;/q;+1;-1
InChIKeyVDJDDFVBGNSQBK-UHFFFAOYSA-N
XLogP3.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

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CID 173057605
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CID 87908201
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CID 175440120
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CID 175089027
lithium;hydride;octadecanoyl octadecanoate
CID 173213572
6-(decylamino)-6-oxohexaneperoxoic acid
CID 159894455
hexane-1,2,3,4,5,6-hexol;octadecaneperoxoic acid
CID 174464487
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Frequently Asked Questions

What is the IUPAC name of lithium;hydride;octadecaneperoxoic acid?
The IUPAC name of lithium;hydride;octadecaneperoxoic acid (CID 173037900) is lithium;hydride;octadecaneperoxoic acid.
What is the SMILES notation for lithium;hydride;octadecaneperoxoic acid?
The canonical SMILES for lithium;hydride;octadecaneperoxoic acid is CCCCCCCCCCCCCCCCCC(=O)OO.[H-].[Li+].
What is the InChIKey of lithium;hydride;octadecaneperoxoic acid?
The InChIKey is VDJDDFVBGNSQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3.Li.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)21-20;;/h20H,2-17H2,1H3;;/q;+1;-1.
What are the key properties of lithium;hydride;octadecaneperoxoic acid?
lithium;hydride;octadecaneperoxoic acid has a molecular weight of 308.43 g/mol, XLogP of 3.38, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;octadecaneperoxoic acid is sourced from PubChem (CID 173037900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).