(1R)-1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid

C7H8O4 — CID 10844626

IUPAC(1R)-1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid
SMILESO=C1C=CC[C@](O)(C(=O)O)C1
InChIInChI=1S/C7H8O4/c8-5-2-1-3-7(11,4-5)6(9)10/h1-2,11H,3-4H2,(H,9,10)/t7-/m1/s1
InChIKeyPZLPBXHBCCBRGN-SSDOTTSWSA-N
MW156.14 g/mol
LogP-0.28
Rot. Bonds1

About (1R)-1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid

(1R)-1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid (PubChem CID 10844626) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is (1R)-1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid
PubChem CID10844626
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name(1R)-1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid
SMILESO=C1C=CC[C@](O)(C(=O)O)C1
InChIInChI=1S/C7H8O4/c8-5-2-1-3-7(11,4-5)6(9)10/h1-2,11H,3-4H2,(H,9,10)/t7-/m1/s1
InChIKeyPZLPBXHBCCBRGN-SSDOTTSWSA-N
XLogP-0.28
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid?
The IUPAC name of (1R)-1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid (CID 10844626) is (1R)-1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for (1R)-1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for (1R)-1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid is O=C1C=CC[C@](O)(C(=O)O)C1.
What is the InChIKey of (1R)-1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid?
The InChIKey is PZLPBXHBCCBRGN-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H8O4/c8-5-2-1-3-7(11,4-5)6(9)10/h1-2,11H,3-4H2,(H,9,10)/t7-/m1/s1.
What are the key properties of (1R)-1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid?
(1R)-1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid has a molecular weight of 156.14 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 10844626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).