4-hydroxy-2,2,6-trimethylcyclohexan-1-one

C9H16O2 — CID 14322959

IUPAC4-hydroxy-2,2,6-trimethylcyclohexan-1-one
SMILESCC1CC(O)CC(C)(C)C1=O
InChIInChI=1S/C9H16O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6-7,10H,4-5H2,1-3H3
InChIKeyCSPVUHYZUZZRGF-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.37
Rot. Bonds

About 4-hydroxy-2,2,6-trimethylcyclohexan-1-one

4-hydroxy-2,2,6-trimethylcyclohexan-1-one (PubChem CID 14322959) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 4-hydroxy-2,2,6-trimethylcyclohexan-1-one.

Molecular Properties

Compound Name4-hydroxy-2,2,6-trimethylcyclohexan-1-one
PubChem CID14322959
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name4-hydroxy-2,2,6-trimethylcyclohexan-1-one
SMILESCC1CC(O)CC(C)(C)C1=O
InChIInChI=1S/C9H16O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6-7,10H,4-5H2,1-3H3
InChIKeyCSPVUHYZUZZRGF-UHFFFAOYSA-N
XLogP1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Actinol
CID 10313234
4-Hydroxypiperitone
CID 525916
4-Hydroxy-3,3,5-trimethylcyclohexanone
CID 21200670
3-Hydroxymegastigman-9-one
CID 91748727
trans-(4R,5S)-4-[(3R)-3-hydroxybutyl]-5-(hydroxymethyl)-3,3-dimethylcyclohexan-1-one
CID 14587390
4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]butan-2-one
CID 16216868
1-hydroxy-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]butan-2-one
CID 16216884
Cyclohexanone, 4-hydroxy-2,2,6-trimethyl-, (4S,6R)-
CID 10931687
4-(3-Hydroxybutyl)-3,3,5-trimethylcyclohexanone
CID 131752728
4-Hydroxy-menthone
CID 129675136
Xylariaone
CID 130963188
4-(3,4-Dihydroxybutyl)-3,3,5-trimethylcyclohexan-1-one
CID 163010409

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,2,6-trimethylcyclohexan-1-one?
The IUPAC name of 4-hydroxy-2,2,6-trimethylcyclohexan-1-one (CID 14322959) is 4-hydroxy-2,2,6-trimethylcyclohexan-1-one.
What is the SMILES notation for 4-hydroxy-2,2,6-trimethylcyclohexan-1-one?
The canonical SMILES for 4-hydroxy-2,2,6-trimethylcyclohexan-1-one is CC1CC(O)CC(C)(C)C1=O.
What is the InChIKey of 4-hydroxy-2,2,6-trimethylcyclohexan-1-one?
The InChIKey is CSPVUHYZUZZRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6-7,10H,4-5H2,1-3H3.
What are the key properties of 4-hydroxy-2,2,6-trimethylcyclohexan-1-one?
4-hydroxy-2,2,6-trimethylcyclohexan-1-one has a molecular weight of 156.22 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,2,6-trimethylcyclohexan-1-one is sourced from PubChem (CID 14322959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).