2-hydroxycyclohexane-1,4-dicarboxylic acid

C8H12O5 — CID 23350184

IUPAC2-hydroxycyclohexane-1,4-dicarboxylic acid
SMILESO=C(O)C1CCC(C(=O)O)C(O)C1
InChIInChI=1S/C8H12O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h4-6,9H,1-3H2,(H,10,11)(H,12,13)
InChIKeyYAMANUVBKUGJDY-UHFFFAOYSA-N
MW188.18 g/mol
LogP-0.07
Rot. Bonds2

About 2-hydroxycyclohexane-1,4-dicarboxylic acid

2-hydroxycyclohexane-1,4-dicarboxylic acid (PubChem CID 23350184) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-hydroxycyclohexane-1,4-dicarboxylic acid.

Molecular Properties

Compound Name2-hydroxycyclohexane-1,4-dicarboxylic acid
PubChem CID23350184
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Name2-hydroxycyclohexane-1,4-dicarboxylic acid
SMILESO=C(O)C1CCC(C(=O)O)C(O)C1
InChIInChI=1S/C8H12O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h4-6,9H,1-3H2,(H,10,11)(H,12,13)
InChIKeyYAMANUVBKUGJDY-UHFFFAOYSA-N
XLogP-0.07
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxycyclohexane-1,4-dicarboxylic acid?
The IUPAC name of 2-hydroxycyclohexane-1,4-dicarboxylic acid (CID 23350184) is 2-hydroxycyclohexane-1,4-dicarboxylic acid.
What is the SMILES notation for 2-hydroxycyclohexane-1,4-dicarboxylic acid?
The canonical SMILES for 2-hydroxycyclohexane-1,4-dicarboxylic acid is O=C(O)C1CCC(C(=O)O)C(O)C1.
What is the InChIKey of 2-hydroxycyclohexane-1,4-dicarboxylic acid?
The InChIKey is YAMANUVBKUGJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h4-6,9H,1-3H2,(H,10,11)(H,12,13).
What are the key properties of 2-hydroxycyclohexane-1,4-dicarboxylic acid?
2-hydroxycyclohexane-1,4-dicarboxylic acid has a molecular weight of 188.18 g/mol, XLogP of -0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxycyclohexane-1,4-dicarboxylic acid is sourced from PubChem (CID 23350184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).