2,5-dihydroxycyclohexene-1,4-dicarboxylic acid

C8H10O6 — CID 70190008

IUPAC2,5-dihydroxycyclohexene-1,4-dicarboxylic acid
SMILESO=C(O)C1=C(O)CC(C(=O)O)C(O)C1
InChIInChI=1S/C8H10O6/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h3,6,9-10H,1-2H2,(H,11,12)(H,13,14)
InChIKeyLUKBKLIOYHTXPE-UHFFFAOYSA-N
MW202.16 g/mol
LogP-0.26
Rot. Bonds2

About 2,5-dihydroxycyclohexene-1,4-dicarboxylic acid

2,5-dihydroxycyclohexene-1,4-dicarboxylic acid (PubChem CID 70190008) has the molecular formula C8H10O6 and a molecular weight of 202.16 g/mol. Its IUPAC name is 2,5-dihydroxycyclohexene-1,4-dicarboxylic acid.

Molecular Properties

Compound Name2,5-dihydroxycyclohexene-1,4-dicarboxylic acid
PubChem CID70190008
Molecular FormulaC8H10O6
Molecular Weight202.16 g/mol
Exact Mass202.05
IUPAC Name2,5-dihydroxycyclohexene-1,4-dicarboxylic acid
SMILESO=C(O)C1=C(O)CC(C(=O)O)C(O)C1
InChIInChI=1S/C8H10O6/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h3,6,9-10H,1-2H2,(H,11,12)(H,13,14)
InChIKeyLUKBKLIOYHTXPE-UHFFFAOYSA-N
XLogP-0.26
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxycyclohexene-1,4-dicarboxylic acid?
The IUPAC name of 2,5-dihydroxycyclohexene-1,4-dicarboxylic acid (CID 70190008) is 2,5-dihydroxycyclohexene-1,4-dicarboxylic acid.
What is the SMILES notation for 2,5-dihydroxycyclohexene-1,4-dicarboxylic acid?
The canonical SMILES for 2,5-dihydroxycyclohexene-1,4-dicarboxylic acid is O=C(O)C1=C(O)CC(C(=O)O)C(O)C1.
What is the InChIKey of 2,5-dihydroxycyclohexene-1,4-dicarboxylic acid?
The InChIKey is LUKBKLIOYHTXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O6/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h3,6,9-10H,1-2H2,(H,11,12)(H,13,14).
What are the key properties of 2,5-dihydroxycyclohexene-1,4-dicarboxylic acid?
2,5-dihydroxycyclohexene-1,4-dicarboxylic acid has a molecular weight of 202.16 g/mol, XLogP of -0.26, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxycyclohexene-1,4-dicarboxylic acid is sourced from PubChem (CID 70190008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).