sodium 2,3,4,5-tetramethylbenzoate

C11H13NaO2 — CID 139724708

IUPACsodium 2,3,4,5-tetramethylbenzoate
SMILESCc1cc(C(=O)[O-])c(C)c(C)c1C.[Na+]
InChIInChI=1S/C11H14O2.Na/c1-6-5-10(11(12)13)9(4)8(3)7(6)2;/h5H,1-4H3,(H,12,13);/q;+1/p-1
InChIKeyGYEQXMMFGAIBQD-UHFFFAOYSA-M
MW200.21 g/mol
LogP-1.71
Rot. Bonds1

About sodium 2,3,4,5-tetramethylbenzoate

sodium 2,3,4,5-tetramethylbenzoate (PubChem CID 139724708) has the molecular formula C11H13NaO2 and a molecular weight of 200.21 g/mol. Its IUPAC name is sodium 2,3,4,5-tetramethylbenzoate.

Molecular Properties

Compound Namesodium 2,3,4,5-tetramethylbenzoate
PubChem CID139724708
Molecular FormulaC11H13NaO2
Molecular Weight200.21 g/mol
Exact Mass200.08
IUPAC Namesodium 2,3,4,5-tetramethylbenzoate
SMILESCc1cc(C(=O)[O-])c(C)c(C)c1C.[Na+]
InChIInChI=1S/C11H14O2.Na/c1-6-5-10(11(12)13)9(4)8(3)7(6)2;/h5H,1-4H3,(H,12,13);/q;+1/p-1
InChIKeyGYEQXMMFGAIBQD-UHFFFAOYSA-M
XLogP-1.71
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 5-1.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium 2,3,4,5-tetramethylbenzoate?
The IUPAC name of sodium 2,3,4,5-tetramethylbenzoate (CID 139724708) is sodium 2,3,4,5-tetramethylbenzoate.
What is the SMILES notation for sodium 2,3,4,5-tetramethylbenzoate?
The canonical SMILES for sodium 2,3,4,5-tetramethylbenzoate is Cc1cc(C(=O)[O-])c(C)c(C)c1C.[Na+].
What is the InChIKey of sodium 2,3,4,5-tetramethylbenzoate?
The InChIKey is GYEQXMMFGAIBQD-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14O2.Na/c1-6-5-10(11(12)13)9(4)8(3)7(6)2;/h5H,1-4H3,(H,12,13);/q;+1/p-1.
What are the key properties of sodium 2,3,4,5-tetramethylbenzoate?
sodium 2,3,4,5-tetramethylbenzoate has a molecular weight of 200.21 g/mol, XLogP of -1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2,3,4,5-tetramethylbenzoate is sourced from PubChem (CID 139724708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).