lithium;hydride;hydron;phosphono 2,4,6-trimethylbenzoate

C10H16LiO5P+2 — CID 175284215

IUPAClithium;hydride;hydron;phosphono 2,4,6-trimethylbenzoate
SMILESCc1cc(C)c(C(=O)OP(=O)(O)O)c(C)c1.[H+].[H+].[H-].[Li+]
InChIInChI=1S/C10H13O5P.Li.H/c1-6-4-7(2)9(8(3)5-6)10(11)15-16(12,13)14;;/h4-5H,1-3H3,(H2,12,13,14);;/q;+1;-1/p+2
InChIKeyJTZAIUYPKWMEBS-UHFFFAOYSA-P
MW254.15 g/mol
LogP-0.80
Rot. Bonds2

About lithium;hydride;hydron;phosphono 2,4,6-trimethylbenzoate

lithium;hydride;hydron;phosphono 2,4,6-trimethylbenzoate (PubChem CID 175284215) has the molecular formula C10H16LiO5P+2 and a molecular weight of 254.15 g/mol. Its IUPAC name is lithium;hydride;hydron;phosphono 2,4,6-trimethylbenzoate.

Molecular Properties

Compound Namelithium;hydride;hydron;phosphono 2,4,6-trimethylbenzoate
PubChem CID175284215
Molecular FormulaC10H16LiO5P+2
Molecular Weight254.15 g/mol
Exact Mass254.09
IUPAC Namelithium;hydride;hydron;phosphono 2,4,6-trimethylbenzoate
SMILESCc1cc(C)c(C(=O)OP(=O)(O)O)c(C)c1.[H+].[H+].[H-].[Li+]
InChIInChI=1S/C10H13O5P.Li.H/c1-6-4-7(2)9(8(3)5-6)10(11)15-16(12,13)14;;/h4-5H,1-3H3,(H2,12,13,14);;/q;+1;-1/p+2
InChIKeyJTZAIUYPKWMEBS-UHFFFAOYSA-P
XLogP-0.80
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium;benzene;phosphono 2,4,6-trimethylbenzoate
CID 175565104
lithium;hydride;(2,4,6-trimethylbenzoyl)phosphonic acid
CID 175208689
[chloro-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 90240714
1-fluoroethenyl 2,4,6-trimethylbenzoate
CID 101453567
methyl 2-hydroxy-4,6-dimethylbenzoate;methyl 2,4,6-trimethylbenzoate
CID 161420499
(1-methylcyclopropyl) 2,4,6-trimethylbenzoate
CID 22095711
prop-2-enyl 2,4,6-trimethylbenzoate
CID 15783311
[(2-methylpropan-2-yl)oxy-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 125497314
ethyl 2-hydroxy-4,6-dimethylbenzoate;ethyl 2,4,6-trimethylbenzoate
CID 159167019
(4-chloro-3,5-dimethylphenyl) 2,4,6-trimethylbenzoate
CID 19166017
CID 140911137
CID 140911137
1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
CID 131862336

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;hydron;phosphono 2,4,6-trimethylbenzoate?
The IUPAC name of lithium;hydride;hydron;phosphono 2,4,6-trimethylbenzoate (CID 175284215) is lithium;hydride;hydron;phosphono 2,4,6-trimethylbenzoate.
What is the SMILES notation for lithium;hydride;hydron;phosphono 2,4,6-trimethylbenzoate?
The canonical SMILES for lithium;hydride;hydron;phosphono 2,4,6-trimethylbenzoate is Cc1cc(C)c(C(=O)OP(=O)(O)O)c(C)c1.[H+].[H+].[H-].[Li+].
What is the InChIKey of lithium;hydride;hydron;phosphono 2,4,6-trimethylbenzoate?
The InChIKey is JTZAIUYPKWMEBS-UHFFFAOYSA-P. The full InChI is InChI=1S/C10H13O5P.Li.H/c1-6-4-7(2)9(8(3)5-6)10(11)15-16(12,13)14;;/h4-5H,1-3H3,(H2,12,13,14);;/q;+1;-1/p+2.
What are the key properties of lithium;hydride;hydron;phosphono 2,4,6-trimethylbenzoate?
lithium;hydride;hydron;phosphono 2,4,6-trimethylbenzoate has a molecular weight of 254.15 g/mol, XLogP of -0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;hydron;phosphono 2,4,6-trimethylbenzoate is sourced from PubChem (CID 175284215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).