1-hydroxy-2,6-dimethylcyclohexa-3,5-diene-1,3-dicarboxylic acid

C10H12O5 — CID 19606673

IUPAC1-hydroxy-2,6-dimethylcyclohexa-3,5-diene-1,3-dicarboxylic acid
SMILESCC1=CC=C(C(=O)O)C(C)C1(O)C(=O)O
InChIInChI=1S/C10H12O5/c1-5-3-4-7(8(11)12)6(2)10(5,15)9(13)14/h3-4,6,15H,1-2H3,(H,11,12)(H,13,14)
InChIKeyGJMONPIGNQHFOB-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.41
Rot. Bonds2

About 1-hydroxy-2,6-dimethylcyclohexa-3,5-diene-1,3-dicarboxylic acid

1-hydroxy-2,6-dimethylcyclohexa-3,5-diene-1,3-dicarboxylic acid (PubChem CID 19606673) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 1-hydroxy-2,6-dimethylcyclohexa-3,5-diene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name1-hydroxy-2,6-dimethylcyclohexa-3,5-diene-1,3-dicarboxylic acid
PubChem CID19606673
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name1-hydroxy-2,6-dimethylcyclohexa-3,5-diene-1,3-dicarboxylic acid
SMILESCC1=CC=C(C(=O)O)C(C)C1(O)C(=O)O
InChIInChI=1S/C10H12O5/c1-5-3-4-7(8(11)12)6(2)10(5,15)9(13)14/h3-4,6,15H,1-2H3,(H,11,12)(H,13,14)
InChIKeyGJMONPIGNQHFOB-UHFFFAOYSA-N
XLogP0.41
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,6-dimethylcyclohexa-3,5-diene-1,3-dicarboxylic acid?
The IUPAC name of 1-hydroxy-2,6-dimethylcyclohexa-3,5-diene-1,3-dicarboxylic acid (CID 19606673) is 1-hydroxy-2,6-dimethylcyclohexa-3,5-diene-1,3-dicarboxylic acid.
What is the SMILES notation for 1-hydroxy-2,6-dimethylcyclohexa-3,5-diene-1,3-dicarboxylic acid?
The canonical SMILES for 1-hydroxy-2,6-dimethylcyclohexa-3,5-diene-1,3-dicarboxylic acid is CC1=CC=C(C(=O)O)C(C)C1(O)C(=O)O.
What is the InChIKey of 1-hydroxy-2,6-dimethylcyclohexa-3,5-diene-1,3-dicarboxylic acid?
The InChIKey is GJMONPIGNQHFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-5-3-4-7(8(11)12)6(2)10(5,15)9(13)14/h3-4,6,15H,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 1-hydroxy-2,6-dimethylcyclohexa-3,5-diene-1,3-dicarboxylic acid?
1-hydroxy-2,6-dimethylcyclohexa-3,5-diene-1,3-dicarboxylic acid has a molecular weight of 212.20 g/mol, XLogP of 0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,6-dimethylcyclohexa-3,5-diene-1,3-dicarboxylic acid is sourced from PubChem (CID 19606673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).