2-hydroxy-6-methylcyclohex-3-ene-1-carboxylic acid

C8H12O3 — CID 543567

IUPAC2-hydroxy-6-methylcyclohex-3-ene-1-carboxylic acid
SMILESCC1CC=CC(O)C1C(=O)O
InChIInChI=1S/C8H12O3/c1-5-3-2-4-6(9)7(5)8(10)11/h2,4-7,9H,3H2,1H3,(H,10,11)
InChIKeyILLFSAKCCQDSQW-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.64
Rot. Bonds1

About 2-hydroxy-6-methylcyclohex-3-ene-1-carboxylic acid

2-hydroxy-6-methylcyclohex-3-ene-1-carboxylic acid (PubChem CID 543567) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-hydroxy-6-methylcyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-6-methylcyclohex-3-ene-1-carboxylic acid
PubChem CID543567
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-hydroxy-6-methylcyclohex-3-ene-1-carboxylic acid
SMILESCC1CC=CC(O)C1C(=O)O
InChIInChI=1S/C8H12O3/c1-5-3-2-4-6(9)7(5)8(10)11/h2,4-7,9H,3H2,1H3,(H,10,11)
InChIKeyILLFSAKCCQDSQW-UHFFFAOYSA-N
XLogP0.64
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

rac-methyl (1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylate
CID 10630745
(1S,2R,5S,6R)-5,6-dihydroxy-2-methylcyclohex-3-ene-1-carboxylic acid
CID 16655648
Cubensic acid
CID 11606134
3,7,11,15-Tetrahydroxy-18-(hydroxymethyl)-2,4,6,10,14,16,20-heptamethyldocosa-4,8,12,16-tetraenoic acid
CID 73027129
(1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylic acid
CID 55300346
(1S,5S)-5-hydroxycyclohex-3-ene-1-carboxylic acid
CID 57908124
Gliomacid B
CID 139590656
Graphostromol J
CID 146682842
(2R,3R,4E,6S,7S,8E,10S,11S,12E,14S,15R,16E,18R,20S)-3,7,11,15-tetrahydroxy-18-(hydroxymethyl)-2,4,6,10,14,16,20-heptamethyldocosa-4,8,12,16-tetraenoic acid
CID 162920251
(E)-3,10-Dihydroxy-4,9-dimethyldodec-6-enedioic acid
CID 129008872
2-Hydroxycyclohex-3-ene-1-carboxylic acid
CID 14090861
dimethyl (1S,2R)-3-hydroxycyclohex-4-ene-1,2-dicarboxylate
CID 57549775

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-methylcyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 2-hydroxy-6-methylcyclohex-3-ene-1-carboxylic acid (CID 543567) is 2-hydroxy-6-methylcyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 2-hydroxy-6-methylcyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 2-hydroxy-6-methylcyclohex-3-ene-1-carboxylic acid is CC1CC=CC(O)C1C(=O)O.
What is the InChIKey of 2-hydroxy-6-methylcyclohex-3-ene-1-carboxylic acid?
The InChIKey is ILLFSAKCCQDSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-5-3-2-4-6(9)7(5)8(10)11/h2,4-7,9H,3H2,1H3,(H,10,11).
What are the key properties of 2-hydroxy-6-methylcyclohex-3-ene-1-carboxylic acid?
2-hydroxy-6-methylcyclohex-3-ene-1-carboxylic acid has a molecular weight of 156.18 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-methylcyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 543567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).