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

C8H10O3 — CID 163124391

IUPAC5-hydroxy-6,6-dimethylcyclohex-4-ene-1,3-dione
SMILESCC1(C)C(=O)CC(=O)C=C1O
InChIInChI=1S/C8H10O3/c1-8(2)6(10)3-5(9)4-7(8)11/h3,10H,4H2,1-2H3
InChIKeyCHFCNWCEHGDVKI-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.00
Rot. Bonds

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

5-hydroxy-6,6-dimethylcyclohex-4-ene-1,3-dione (PubChem CID 163124391) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 5-hydroxy-6,6-dimethylcyclohex-4-ene-1,3-dione.

Molecular Properties

Compound Name5-hydroxy-6,6-dimethylcyclohex-4-ene-1,3-dione
PubChem CID163124391
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name5-hydroxy-6,6-dimethylcyclohex-4-ene-1,3-dione
SMILESCC1(C)C(=O)CC(=O)C=C1O
InChIInChI=1S/C8H10O3/c1-8(2)6(10)3-5(9)4-7(8)11/h3,10H,4H2,1-2H3
InChIKeyCHFCNWCEHGDVKI-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
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

6-hydroxy-5,6-dimethylcyclohex-4-ene-1,3-dione
CID 12768990
3-hydroxy-4,4-dimethylcyclohex-2-en-1-one
CID 13297859
6,6-dihydroxycyclohex-4-ene-1,3-dione
CID 57275244
5-methoxy-6,6-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione
CID 24749109
4a,6-dihydroxy-5-methoxyfluorene-2,4,9-trione
CID 91387906
7-hydroxy-3a,9b-dimethyl-1,2,4,5-tetrahydrocyclopenta[a]naphthalen-3-one
CID 12702349
5-hydroxy-5-methylcyclohex-2-en-1-one
CID 89287800
(1R,5S)-4-hydroxy-5,8,8-trimethylbicyclo[3.2.1]oct-3-en-2-one
CID 7156873
6-hydroxy-1,1,7-trimethyl-3,4-dihydrophenanthren-2-one
CID 73212506
(8S,9S,10R,13S,14S,16R)-10,13,16-trimethyl-1,3-dioxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid
CID 123293149
4,4,5,5-tetrafluoro-3-hydroxycyclopent-2-en-1-one
CID 142508450
8-hydroxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one
CID 115010908

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6,6-dimethylcyclohex-4-ene-1,3-dione?
The IUPAC name of 5-hydroxy-6,6-dimethylcyclohex-4-ene-1,3-dione (CID 163124391) is 5-hydroxy-6,6-dimethylcyclohex-4-ene-1,3-dione.
What is the SMILES notation for 5-hydroxy-6,6-dimethylcyclohex-4-ene-1,3-dione?
The canonical SMILES for 5-hydroxy-6,6-dimethylcyclohex-4-ene-1,3-dione is CC1(C)C(=O)CC(=O)C=C1O.
What is the InChIKey of 5-hydroxy-6,6-dimethylcyclohex-4-ene-1,3-dione?
The InChIKey is CHFCNWCEHGDVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-8(2)6(10)3-5(9)4-7(8)11/h3,10H,4H2,1-2H3.
What are the key properties of 5-hydroxy-6,6-dimethylcyclohex-4-ene-1,3-dione?
5-hydroxy-6,6-dimethylcyclohex-4-ene-1,3-dione has a molecular weight of 154.16 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6,6-dimethylcyclohex-4-ene-1,3-dione is sourced from PubChem (CID 163124391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).