6-hydroxy-5,6-dimethylcyclohex-4-ene-1,3-dione

C8H10O3 — CID 12768990

IUPAC6-hydroxy-5,6-dimethylcyclohex-4-ene-1,3-dione
SMILESCC1=CC(=O)CC(=O)C1(C)O
InChIInChI=1S/C8H10O3/c1-5-3-6(9)4-7(10)8(5,2)11/h3,11H,4H2,1-2H3
InChIKeyOEJKQQZLTDOZQI-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.23
Rot. Bonds

About 6-hydroxy-5,6-dimethylcyclohex-4-ene-1,3-dione

6-hydroxy-5,6-dimethylcyclohex-4-ene-1,3-dione (PubChem CID 12768990) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 6-hydroxy-5,6-dimethylcyclohex-4-ene-1,3-dione.

Molecular Properties

Compound Name6-hydroxy-5,6-dimethylcyclohex-4-ene-1,3-dione
PubChem CID12768990
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name6-hydroxy-5,6-dimethylcyclohex-4-ene-1,3-dione
SMILESCC1=CC(=O)CC(=O)C1(C)O
InChIInChI=1S/C8H10O3/c1-5-3-6(9)4-7(10)8(5,2)11/h3,11H,4H2,1-2H3
InChIKeyOEJKQQZLTDOZQI-UHFFFAOYSA-N
XLogP0.23
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-6,6-dimethylcyclohex-4-ene-1,3-dione
CID 163124391
3,6-dihydroxy-5,6-dimethylcyclohexa-2,4-dien-1-one
CID 130030729
6,6-dihydroxycyclohex-4-ene-1,3-dione
CID 57275244
(3R)-3-hydroxy-3-methyl-1H-inden-2-one
CID 100988192
4-hydroxy-4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one
CID 14135401
(4S)-4-hydroxy-4-[(3R)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-2-en-1-one
CID 14135402
3,4,4,6,6-pentamethylcyclohept-2-en-1-one
CID 145158727
2-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-one
CID 85290962
(4S)-4-[(E)-3,4-dihydroxybut-1-enyl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
CID 101458721
(Z)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpent-2-en-4-ynal
CID 23255984
5-hydroxy-5-methylcyclohex-2-en-1-one
CID 89287800
4-hydroxy-4-[(E)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
CID 5280654

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5,6-dimethylcyclohex-4-ene-1,3-dione?
The IUPAC name of 6-hydroxy-5,6-dimethylcyclohex-4-ene-1,3-dione (CID 12768990) is 6-hydroxy-5,6-dimethylcyclohex-4-ene-1,3-dione.
What is the SMILES notation for 6-hydroxy-5,6-dimethylcyclohex-4-ene-1,3-dione?
The canonical SMILES for 6-hydroxy-5,6-dimethylcyclohex-4-ene-1,3-dione is CC1=CC(=O)CC(=O)C1(C)O.
What is the InChIKey of 6-hydroxy-5,6-dimethylcyclohex-4-ene-1,3-dione?
The InChIKey is OEJKQQZLTDOZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-5-3-6(9)4-7(10)8(5,2)11/h3,11H,4H2,1-2H3.
What are the key properties of 6-hydroxy-5,6-dimethylcyclohex-4-ene-1,3-dione?
6-hydroxy-5,6-dimethylcyclohex-4-ene-1,3-dione has a molecular weight of 154.16 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5,6-dimethylcyclohex-4-ene-1,3-dione is sourced from PubChem (CID 12768990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).