lithium;hydride;2,4,5-tributylbenzoic acid

C19H31LiO2 — CID 173424701

IUPAClithium;hydride;2,4,5-tributylbenzoic acid
SMILESCCCCc1cc(CCCC)c(C(=O)O)cc1CCCC.[H-].[Li+]
InChIInChI=1S/C19H30O2.Li.H/c1-4-7-10-15-13-17(12-9-6-3)18(19(20)21)14-16(15)11-8-5-2;;/h13-14H,4-12H2,1-3H3,(H,20,21);;/q;+1;-1
InChIKeyHPSXPEBLFQFCPW-UHFFFAOYSA-N
MW298.40 g/mol
LogP2.53
Rot. Bonds10

About lithium;hydride;2,4,5-tributylbenzoic acid

lithium;hydride;2,4,5-tributylbenzoic acid (PubChem CID 173424701) has the molecular formula C19H31LiO2 and a molecular weight of 298.40 g/mol. Its IUPAC name is lithium;hydride;2,4,5-tributylbenzoic acid.

Molecular Properties

Compound Namelithium;hydride;2,4,5-tributylbenzoic acid
PubChem CID173424701
Molecular FormulaC19H31LiO2
Molecular Weight298.40 g/mol
Exact Mass298.25
IUPAC Namelithium;hydride;2,4,5-tributylbenzoic acid
SMILESCCCCc1cc(CCCC)c(C(=O)O)cc1CCCC.[H-].[Li+]
InChIInChI=1S/C19H30O2.Li.H/c1-4-7-10-15-13-17(12-9-6-3)18(19(20)21)14-16(15)11-8-5-2;;/h13-14H,4-12H2,1-3H3,(H,20,21);;/q;+1;-1
InChIKeyHPSXPEBLFQFCPW-UHFFFAOYSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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azane;2-butylbenzoic acid
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6-hexadecyl-1,3-dioxo-2-benzofuran-5-carboxylic acid
CID 54131942
1-(5-butyl-2,4-diethylphenyl)-2-methylpropan-1-one
CID 164924416
3-butyl-2-hydroxybenzoic acid
CID 18681512
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Frequently Asked Questions

What is the IUPAC name of lithium;hydride;2,4,5-tributylbenzoic acid?
The IUPAC name of lithium;hydride;2,4,5-tributylbenzoic acid (CID 173424701) is lithium;hydride;2,4,5-tributylbenzoic acid.
What is the SMILES notation for lithium;hydride;2,4,5-tributylbenzoic acid?
The canonical SMILES for lithium;hydride;2,4,5-tributylbenzoic acid is CCCCc1cc(CCCC)c(C(=O)O)cc1CCCC.[H-].[Li+].
What is the InChIKey of lithium;hydride;2,4,5-tributylbenzoic acid?
The InChIKey is HPSXPEBLFQFCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2.Li.H/c1-4-7-10-15-13-17(12-9-6-3)18(19(20)21)14-16(15)11-8-5-2;;/h13-14H,4-12H2,1-3H3,(H,20,21);;/q;+1;-1.
What are the key properties of lithium;hydride;2,4,5-tributylbenzoic acid?
lithium;hydride;2,4,5-tributylbenzoic acid has a molecular weight of 298.40 g/mol, XLogP of 2.53, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;2,4,5-tributylbenzoic acid is sourced from PubChem (CID 173424701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).