sodium 2-methyl-2-phenylpropanoate

C10H11NaO2 — CID 141248267

IUPACsodium 2-methyl-2-phenylpropanoate
SMILESCC(C)(C(=O)[O-])c1ccccc1.[Na+]
InChIInChI=1S/C10H12O2.Na/c1-10(2,9(11)12)8-6-4-3-5-7-8;/h3-7H,1-2H3,(H,11,12);/q;+1/p-1
InChIKeyKWODUGJRRZLJRS-UHFFFAOYSA-M
MW186.19 g/mol
LogP-2.28
Rot. Bonds2

About sodium 2-methyl-2-phenylpropanoate

sodium 2-methyl-2-phenylpropanoate (PubChem CID 141248267) has the molecular formula C10H11NaO2 and a molecular weight of 186.19 g/mol. Its IUPAC name is sodium 2-methyl-2-phenylpropanoate.

Molecular Properties

Compound Namesodium 2-methyl-2-phenylpropanoate
PubChem CID141248267
Molecular FormulaC10H11NaO2
Molecular Weight186.19 g/mol
Exact Mass186.07
IUPAC Namesodium 2-methyl-2-phenylpropanoate
SMILESCC(C)(C(=O)[O-])c1ccccc1.[Na+]
InChIInChI=1S/C10H12O2.Na/c1-10(2,9(11)12)8-6-4-3-5-7-8;/h3-7H,1-2H3,(H,11,12);/q;+1/p-1
InChIKeyKWODUGJRRZLJRS-UHFFFAOYSA-M
XLogP-2.28
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 5-2.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

magnesium bis(2-methyl-2-phenylpropanoate)
CID 141248278
(2S)-2-hydroxy-2-phenylpropanoate
CID 6932633
calcium 2,2-diphenylpropanedioate
CID 153423965
magnesium;hydride;2-methyl-2-phenylpropanoic acid
CID 174669783
2-hydroxy-2,2-diphenylacetate;hydrochloride
CID 21418239
calcium 2-tert-butyl-2-phenylpropanedioate
CID 153423901
potassium;sodium;2-phenyl-2-propan-2-ylpropanedioate
CID 139411731
(2R)-3,3,3-trifluoro-2-methyl-2-phenylpropanoate
CID 101271066
sodium 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-phenylpropanoate
CID 58999949
ethane;2-phenylpropan-2-ylbenzene;acetate
CID 167579549
N,2-dimethyl-2-phenyl-N-silylpropanamide
CID 173360182
sodium 2-methyl-2-phenyltetradecanoate
CID 175370916

Frequently Asked Questions

What is the IUPAC name of sodium 2-methyl-2-phenylpropanoate?
The IUPAC name of sodium 2-methyl-2-phenylpropanoate (CID 141248267) is sodium 2-methyl-2-phenylpropanoate.
What is the SMILES notation for sodium 2-methyl-2-phenylpropanoate?
The canonical SMILES for sodium 2-methyl-2-phenylpropanoate is CC(C)(C(=O)[O-])c1ccccc1.[Na+].
What is the InChIKey of sodium 2-methyl-2-phenylpropanoate?
The InChIKey is KWODUGJRRZLJRS-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12O2.Na/c1-10(2,9(11)12)8-6-4-3-5-7-8;/h3-7H,1-2H3,(H,11,12);/q;+1/p-1.
What are the key properties of sodium 2-methyl-2-phenylpropanoate?
sodium 2-methyl-2-phenylpropanoate has a molecular weight of 186.19 g/mol, XLogP of -2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methyl-2-phenylpropanoate is sourced from PubChem (CID 141248267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).