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

C16H16O4 — CID 150792868

IUPAC1,3,4,5-tetramethylnaphthalene-2,6-dicarboxylic acid
SMILESCc1c(C(=O)O)c(C)c2ccc(C(=O)O)c(C)c2c1C
InChIInChI=1S/C16H16O4/c1-7-8(2)14(16(19)20)9(3)11-5-6-12(15(17)18)10(4)13(7)11/h5-6H,1-4H3,(H,17,18)(H,19,20)
InChIKeyKEFJXNARAVTJNO-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.47
Rot. Bonds2

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

1,3,4,5-tetramethylnaphthalene-2,6-dicarboxylic acid (PubChem CID 150792868) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1,3,4,5-tetramethylnaphthalene-2,6-dicarboxylic acid.

Molecular Properties

Compound Name1,3,4,5-tetramethylnaphthalene-2,6-dicarboxylic acid
PubChem CID150792868
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name1,3,4,5-tetramethylnaphthalene-2,6-dicarboxylic acid
SMILESCc1c(C(=O)O)c(C)c2ccc(C(=O)O)c(C)c2c1C
InChIInChI=1S/C16H16O4/c1-7-8(2)14(16(19)20)9(3)11-5-6-12(15(17)18)10(4)13(7)11/h5-6H,1-4H3,(H,17,18)(H,19,20)
InChIKeyKEFJXNARAVTJNO-UHFFFAOYSA-N
XLogP3.47
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1,8-dimethylnaphthalene-2-carboxylic acid
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4-ethenyl-2-methylbenzene-1,3-dicarboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1,3,4,5-tetramethylnaphthalene-2,6-dicarboxylic acid?
The IUPAC name of 1,3,4,5-tetramethylnaphthalene-2,6-dicarboxylic acid (CID 150792868) is 1,3,4,5-tetramethylnaphthalene-2,6-dicarboxylic acid.
What is the SMILES notation for 1,3,4,5-tetramethylnaphthalene-2,6-dicarboxylic acid?
The canonical SMILES for 1,3,4,5-tetramethylnaphthalene-2,6-dicarboxylic acid is Cc1c(C(=O)O)c(C)c2ccc(C(=O)O)c(C)c2c1C.
What is the InChIKey of 1,3,4,5-tetramethylnaphthalene-2,6-dicarboxylic acid?
The InChIKey is KEFJXNARAVTJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-7-8(2)14(16(19)20)9(3)11-5-6-12(15(17)18)10(4)13(7)11/h5-6H,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 1,3,4,5-tetramethylnaphthalene-2,6-dicarboxylic acid?
1,3,4,5-tetramethylnaphthalene-2,6-dicarboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5-tetramethylnaphthalene-2,6-dicarboxylic acid is sourced from PubChem (CID 150792868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).