1-hydroxy-2-oxocyclohexane-1-carboxylic acid

C7H10O4 — CID 90919530

IUPAC1-hydroxy-2-oxocyclohexane-1-carboxylic acid
SMILESO=C(O)C1(O)CCCCC1=O
InChIInChI=1S/C7H10O4/c8-5-3-1-2-4-7(5,11)6(9)10/h11H,1-4H2,(H,9,10)
InChIKeyUQPJIONZGBBUHP-UHFFFAOYSA-N
MW158.15 g/mol
LogP-0.05
Rot. Bonds1

About 1-hydroxy-2-oxocyclohexane-1-carboxylic acid

1-hydroxy-2-oxocyclohexane-1-carboxylic acid (PubChem CID 90919530) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 1-hydroxy-2-oxocyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-2-oxocyclohexane-1-carboxylic acid
PubChem CID90919530
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name1-hydroxy-2-oxocyclohexane-1-carboxylic acid
SMILESO=C(O)C1(O)CCCCC1=O
InChIInChI=1S/C7H10O4/c8-5-3-1-2-4-7(5,11)6(9)10/h11H,1-4H2,(H,9,10)
InChIKeyUQPJIONZGBBUHP-UHFFFAOYSA-N
XLogP-0.05
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-oxocyclohexane-1-carboxylic acid?
The IUPAC name of 1-hydroxy-2-oxocyclohexane-1-carboxylic acid (CID 90919530) is 1-hydroxy-2-oxocyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-hydroxy-2-oxocyclohexane-1-carboxylic acid?
The canonical SMILES for 1-hydroxy-2-oxocyclohexane-1-carboxylic acid is O=C(O)C1(O)CCCCC1=O.
What is the InChIKey of 1-hydroxy-2-oxocyclohexane-1-carboxylic acid?
The InChIKey is UQPJIONZGBBUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c8-5-3-1-2-4-7(5,11)6(9)10/h11H,1-4H2,(H,9,10).
What are the key properties of 1-hydroxy-2-oxocyclohexane-1-carboxylic acid?
1-hydroxy-2-oxocyclohexane-1-carboxylic acid has a molecular weight of 158.15 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-oxocyclohexane-1-carboxylic acid is sourced from PubChem (CID 90919530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).