2,4,5,6-tetramethylbenzene-1,3-dicarboxylic acid

C12H14O4 — CID 54077888

IUPAC2,4,5,6-tetramethylbenzene-1,3-dicarboxylic acid
SMILESCc1c(C)c(C(=O)O)c(C)c(C(=O)O)c1C
InChIInChI=1S/C12H14O4/c1-5-6(2)9(11(13)14)8(4)10(7(5)3)12(15)16/h1-4H3,(H,13,14)(H,15,16)
InChIKeyMKZOWDOHBBISIF-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.32
Rot. Bonds2

About 2,4,5,6-tetramethylbenzene-1,3-dicarboxylic acid

2,4,5,6-tetramethylbenzene-1,3-dicarboxylic acid (PubChem CID 54077888) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2,4,5,6-tetramethylbenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name2,4,5,6-tetramethylbenzene-1,3-dicarboxylic acid
PubChem CID54077888
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name2,4,5,6-tetramethylbenzene-1,3-dicarboxylic acid
SMILESCc1c(C)c(C(=O)O)c(C)c(C(=O)O)c1C
InChIInChI=1S/C12H14O4/c1-5-6(2)9(11(13)14)8(4)10(7(5)3)12(15)16/h1-4H3,(H,13,14)(H,15,16)
InChIKeyMKZOWDOHBBISIF-UHFFFAOYSA-N
XLogP2.32
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5,6-tetramethylbenzene-1,3-dicarboxylic acid?
The IUPAC name of 2,4,5,6-tetramethylbenzene-1,3-dicarboxylic acid (CID 54077888) is 2,4,5,6-tetramethylbenzene-1,3-dicarboxylic acid.
What is the SMILES notation for 2,4,5,6-tetramethylbenzene-1,3-dicarboxylic acid?
The canonical SMILES for 2,4,5,6-tetramethylbenzene-1,3-dicarboxylic acid is Cc1c(C)c(C(=O)O)c(C)c(C(=O)O)c1C.
What is the InChIKey of 2,4,5,6-tetramethylbenzene-1,3-dicarboxylic acid?
The InChIKey is MKZOWDOHBBISIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-5-6(2)9(11(13)14)8(4)10(7(5)3)12(15)16/h1-4H3,(H,13,14)(H,15,16).
What are the key properties of 2,4,5,6-tetramethylbenzene-1,3-dicarboxylic acid?
2,4,5,6-tetramethylbenzene-1,3-dicarboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetramethylbenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 54077888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).