(1R)-3-oxocyclohexane-1-carboxylic acid

C7H10O3 — CID 12924365

IUPAC(1R)-3-oxocyclohexane-1-carboxylic acid
SMILESO=C1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C7H10O3/c8-6-3-1-2-5(4-6)7(9)10/h5H,1-4H2,(H,9,10)/t5-/m1/s1
InChIKeyWATQNARHYZXAGY-RXMQYKEDSA-N
MW142.15 g/mol
LogP0.83
Rot. Bonds1

About (1R)-3-oxocyclohexane-1-carboxylic acid

(1R)-3-oxocyclohexane-1-carboxylic acid (PubChem CID 12924365) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (1R)-3-oxocyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-3-oxocyclohexane-1-carboxylic acid
PubChem CID12924365
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(1R)-3-oxocyclohexane-1-carboxylic acid
SMILESO=C1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C7H10O3/c8-6-3-1-2-5(4-6)7(9)10/h5H,1-4H2,(H,9,10)/t5-/m1/s1
InChIKeyWATQNARHYZXAGY-RXMQYKEDSA-N
XLogP0.83
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-oxocyclohexane-1-carboxylic acid?
The IUPAC name of (1R)-3-oxocyclohexane-1-carboxylic acid (CID 12924365) is (1R)-3-oxocyclohexane-1-carboxylic acid.
What is the SMILES notation for (1R)-3-oxocyclohexane-1-carboxylic acid?
The canonical SMILES for (1R)-3-oxocyclohexane-1-carboxylic acid is O=C1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (1R)-3-oxocyclohexane-1-carboxylic acid?
The InChIKey is WATQNARHYZXAGY-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10O3/c8-6-3-1-2-5(4-6)7(9)10/h5H,1-4H2,(H,9,10)/t5-/m1/s1.
What are the key properties of (1R)-3-oxocyclohexane-1-carboxylic acid?
(1R)-3-oxocyclohexane-1-carboxylic acid has a molecular weight of 142.15 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-oxocyclohexane-1-carboxylic acid is sourced from PubChem (CID 12924365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).