lithium;2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid);toluene

C19H25LiO6 — CID 70626538

IUPAClithium;2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid);toluene
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)[O-].Cc1ccccc1.[Li+]
InChIInChI=1S/C7H8.3C4H6O2.Li/c1-7-5-3-2-4-6-7;3*1-3(2)4(5)6;/h2-6H,1H3;3*1H2,2H3,(H,5,6);/q;;;;+1/p-1
InChIKeyYAVPTZAXIUUZAC-UHFFFAOYSA-M
MW356.34 g/mol
LogP-0.39
Rot. Bonds3

About lithium;2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid);toluene

lithium;2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid);toluene (PubChem CID 70626538) has the molecular formula C19H25LiO6 and a molecular weight of 356.34 g/mol. Its IUPAC name is lithium;2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid);toluene.

Molecular Properties

Compound Namelithium;2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid);toluene
PubChem CID70626538
Molecular FormulaC19H25LiO6
Molecular Weight356.34 g/mol
Exact Mass356.18
IUPAC Namelithium;2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid);toluene
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)[O-].Cc1ccccc1.[Li+]
InChIInChI=1S/C7H8.3C4H6O2.Li/c1-7-5-3-2-4-6-7;3*1-3(2)4(5)6;/h2-6H,1H3;3*1H2,2H3,(H,5,6);/q;;;;+1/p-1
InChIKeyYAVPTZAXIUUZAC-UHFFFAOYSA-M
XLogP-0.39
TPSA114.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

potassium;hydrogen carbonate;toluene
CID 174871430
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CID 158339604
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CID 23715908
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CID 159840606
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CID 90764441
2-methylprop-2-enoic acid;triphenylphosphane
CID 173320900
sodium;propan-2-one;toluene;hydroxide
CID 174689078
acetic acid;ethane;toluene;yttrium
CID 158410874
sodium;2-methylprop-2-enoate;styrene
CID 67136540
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CID 174940878

Frequently Asked Questions

What is the IUPAC name of lithium;2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid);toluene?
The IUPAC name of lithium;2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid);toluene (CID 70626538) is lithium;2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid);toluene.
What is the SMILES notation for lithium;2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid);toluene?
The canonical SMILES for lithium;2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid);toluene is C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)[O-].Cc1ccccc1.[Li+].
What is the InChIKey of lithium;2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid);toluene?
The InChIKey is YAVPTZAXIUUZAC-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8.3C4H6O2.Li/c1-7-5-3-2-4-6-7;3*1-3(2)4(5)6;/h2-6H,1H3;3*1H2,2H3,(H,5,6);/q;;;;+1/p-1.
What are the key properties of lithium;2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid);toluene?
lithium;2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid);toluene has a molecular weight of 356.34 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid);toluene is sourced from PubChem (CID 70626538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).