6-hydroxy-4,4,6-trimethylcyclohex-2-en-1-one

C9H14O2 — CID 130031959

IUPAC6-hydroxy-4,4,6-trimethylcyclohex-2-en-1-one
SMILESCC1(C)C=CC(=O)C(C)(O)C1
InChIInChI=1S/C9H14O2/c1-8(2)5-4-7(10)9(3,11)6-8/h4-5,11H,6H2,1-3H3
InChIKeyZTIDJAJRFBMESK-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.29
Rot. Bonds

About 6-hydroxy-4,4,6-trimethylcyclohex-2-en-1-one

6-hydroxy-4,4,6-trimethylcyclohex-2-en-1-one (PubChem CID 130031959) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 6-hydroxy-4,4,6-trimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6-hydroxy-4,4,6-trimethylcyclohex-2-en-1-one
PubChem CID130031959
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name6-hydroxy-4,4,6-trimethylcyclohex-2-en-1-one
SMILESCC1(C)C=CC(=O)C(C)(O)C1
InChIInChI=1S/C9H14O2/c1-8(2)5-4-7(10)9(3,11)6-8/h4-5,11H,6H2,1-3H3
InChIKeyZTIDJAJRFBMESK-UHFFFAOYSA-N
XLogP1.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxy-4,4,6,6-tetramethylcyclohex-2-en-1-one
CID 574183
(6E)-8-hydroxy-4,8-dimethyl-6-prop-2-enylidenespiro[2.5]oct-4-en-7-one
CID 10465516
(4S)-4-hydroxy-4,6,6-trimethylcyclohex-2-en-1-one
CID 154496025
1-(1-Hydroxycyclohex-3-en-1-yl)ethanone
CID 12921387
2-t-Butyl-6-hydroxy-p-benzoquinone
CID 10877720
Hydroxy-5,5-dimethylcyclohex-2-enone
CID 11029922
2-tert-Butyl-3-hydroxycyclohexa-2,5-diene-1,4-dione
CID 22172258
6-Hydroxy-6-methylcyclohex-2-en-1-one
CID 123420568
2-Hydroxy-beta-damascenone
CID 132280901
1-[(1R,2R)-1-hydroxy-2-methylcyclohex-3-en-1-yl]ethanone
CID 15422144
2-Hydroxy-4,4-dimethylcyclohex-2-en-1-one
CID 10898803
6-Hydroxy-2,6-dimethylcyclohex-2-en-1-one
CID 11194381

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4,4,6-trimethylcyclohex-2-en-1-one?
The IUPAC name of 6-hydroxy-4,4,6-trimethylcyclohex-2-en-1-one (CID 130031959) is 6-hydroxy-4,4,6-trimethylcyclohex-2-en-1-one.
What is the SMILES notation for 6-hydroxy-4,4,6-trimethylcyclohex-2-en-1-one?
The canonical SMILES for 6-hydroxy-4,4,6-trimethylcyclohex-2-en-1-one is CC1(C)C=CC(=O)C(C)(O)C1.
What is the InChIKey of 6-hydroxy-4,4,6-trimethylcyclohex-2-en-1-one?
The InChIKey is ZTIDJAJRFBMESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-8(2)5-4-7(10)9(3,11)6-8/h4-5,11H,6H2,1-3H3.
What are the key properties of 6-hydroxy-4,4,6-trimethylcyclohex-2-en-1-one?
6-hydroxy-4,4,6-trimethylcyclohex-2-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4,4,6-trimethylcyclohex-2-en-1-one is sourced from PubChem (CID 130031959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).