2-[(1R)-cyclohex-3-en-1-yl]-2-oxoacetic acid

C8H10O3 — CID 19489

IUPAC2-[(1R)-cyclohex-3-en-1-yl]-2-oxoacetic acid
SMILESO=C(O)C(=O)[C@H]1CC=CCC1
InChIInChI=1S/C8H10O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,10,11)/t6-/m0/s1
InChIKeyXJVDGWZMESEVTD-LURJTMIESA-N
MW154.17 g/mol
LogP1.00
Rot. Bonds2

About 2-[(1R)-cyclohex-3-en-1-yl]-2-oxoacetic acid

2-[(1R)-cyclohex-3-en-1-yl]-2-oxoacetic acid (PubChem CID 19489) has the molecular formula C8H10O3 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-[(1R)-cyclohex-3-en-1-yl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[(1R)-cyclohex-3-en-1-yl]-2-oxoacetic acid
PubChem CID19489
Molecular FormulaC8H10O3
Molecular Weight154.17 g/mol
Exact Mass154.06
IUPAC Name2-[(1R)-cyclohex-3-en-1-yl]-2-oxoacetic acid
SMILESO=C(O)C(=O)[C@H]1CC=CCC1
InChIInChI=1S/C8H10O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,10,11)/t6-/m0/s1
InChIKeyXJVDGWZMESEVTD-LURJTMIESA-N
XLogP1.00
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Cyclohexene-1-carboxylic acid
CID 20903
6-Methylcyclohex-3-ene-1-carboxylic acid
CID 221278
2-Cyclopentene-1-acetic acid
CID 96216
(4Z)-cyclooct-4-ene-1-carboxylic acid
CID 5382865
(R)-Cyclohex-3-enecarboxylic acid
CID 736697
2-Methylcyclohex-3-ene-1-carboxylic acid
CID 199676
2-Cyclohexene-1,4-dicarboxylic acid
CID 316214
(S)-(-)-3-Cyclohexene-1-carboxylic Acid
CID 7128364
4-Methyl-3-cyclohexene-1-carboxylic Acid
CID 20350
Cyclohex-2-ene-1-carboxylic acid
CID 10975489
Cyclohex-2-en-1-ylacetic acid
CID 227350
3-Cyclohexene-1-carboxylic acid, 6-methyl-, (1R,6R)-rel-
CID 11309555

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclohex-3-en-1-yl]-2-oxoacetic acid?
The IUPAC name of 2-[(1R)-cyclohex-3-en-1-yl]-2-oxoacetic acid (CID 19489) is 2-[(1R)-cyclohex-3-en-1-yl]-2-oxoacetic acid.
What is the SMILES notation for 2-[(1R)-cyclohex-3-en-1-yl]-2-oxoacetic acid?
The canonical SMILES for 2-[(1R)-cyclohex-3-en-1-yl]-2-oxoacetic acid is O=C(O)C(=O)[C@H]1CC=CCC1.
What is the InChIKey of 2-[(1R)-cyclohex-3-en-1-yl]-2-oxoacetic acid?
The InChIKey is XJVDGWZMESEVTD-LURJTMIESA-N. The full InChI is InChI=1S/C8H10O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,10,11)/t6-/m0/s1.
What are the key properties of 2-[(1R)-cyclohex-3-en-1-yl]-2-oxoacetic acid?
2-[(1R)-cyclohex-3-en-1-yl]-2-oxoacetic acid has a molecular weight of 154.17 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclohex-3-en-1-yl]-2-oxoacetic acid is sourced from PubChem (CID 19489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).