lithium 2-prop-1-en-2-ylbenzoate

C10H9LiO2 — CID 102161119

IUPAClithium 2-prop-1-en-2-ylbenzoate
SMILESC=C(C)c1ccccc1C(=O)[O-].[Li+]
InChIInChI=1S/C10H10O2.Li/c1-7(2)8-5-3-4-6-9(8)10(11)12;/h3-6H,1H2,2H3,(H,11,12);/q;+1/p-1
InChIKeyJMYTYZXQHLBRJX-UHFFFAOYSA-M
MW168.12 g/mol
LogP-1.91
Rot. Bonds2

About lithium 2-prop-1-en-2-ylbenzoate

lithium 2-prop-1-en-2-ylbenzoate (PubChem CID 102161119) has the molecular formula C10H9LiO2 and a molecular weight of 168.12 g/mol. Its IUPAC name is lithium 2-prop-1-en-2-ylbenzoate.

Molecular Properties

Compound Namelithium 2-prop-1-en-2-ylbenzoate
PubChem CID102161119
Molecular FormulaC10H9LiO2
Molecular Weight168.12 g/mol
Exact Mass168.08
IUPAC Namelithium 2-prop-1-en-2-ylbenzoate
SMILESC=C(C)c1ccccc1C(=O)[O-].[Li+]
InChIInChI=1S/C10H10O2.Li/c1-7(2)8-5-3-4-6-9(8)10(11)12;/h3-6H,1H2,2H3,(H,11,12);/q;+1/p-1
InChIKeyJMYTYZXQHLBRJX-UHFFFAOYSA-M
XLogP-1.91
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 5-1.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

lithium 1,2-bis(prop-1-en-2-yl)benzene
CID 22717015
pentakis(lead(2+));phthalate
CID 173427098
disilver;phthalate
CID 21449237
1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide
CID 175029396
trimagnesium;phthalate
CID 142758668
lead(2+) dihydride;phthalate
CID 155293254
nickel(2+);phthalate
CID 15798393
disodium;hydron;phthalate
CID 23089010
bis(lead(2+));phthalate;dihydroxide
CID 102446618
lithium 2-carboxybenzoate
CID 67386197
1,2-bis(prop-1-en-2-yl)benzene;propane
CID 142274191
strontium;barium(2+);phthalate;zirconium(4+)
CID 174634619

Frequently Asked Questions

What is the IUPAC name of lithium 2-prop-1-en-2-ylbenzoate?
The IUPAC name of lithium 2-prop-1-en-2-ylbenzoate (CID 102161119) is lithium 2-prop-1-en-2-ylbenzoate.
What is the SMILES notation for lithium 2-prop-1-en-2-ylbenzoate?
The canonical SMILES for lithium 2-prop-1-en-2-ylbenzoate is C=C(C)c1ccccc1C(=O)[O-].[Li+].
What is the InChIKey of lithium 2-prop-1-en-2-ylbenzoate?
The InChIKey is JMYTYZXQHLBRJX-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10O2.Li/c1-7(2)8-5-3-4-6-9(8)10(11)12;/h3-6H,1H2,2H3,(H,11,12);/q;+1/p-1.
What are the key properties of lithium 2-prop-1-en-2-ylbenzoate?
lithium 2-prop-1-en-2-ylbenzoate has a molecular weight of 168.12 g/mol, XLogP of -1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-prop-1-en-2-ylbenzoate is sourced from PubChem (CID 102161119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).