cis-(2R,6S)-4-hydroxy-2,4,6-trimethylcyclohexan-1-one

C9H16O2 — CID 91620799

IUPACcis-(2R,6S)-4-hydroxy-2,4,6-trimethylcyclohexan-1-one
SMILESC[C@@H]1CC(C)(O)C[C@H](C)C1=O
InChIInChI=1S/C9H16O2/c1-6-4-9(3,11)5-7(2)8(6)10/h6-7,11H,4-5H2,1-3H3/t6-,7+,9?
InChIKeyFBISYBGULVJUGP-AVSFMBPQSA-N
MW156.22 g/mol
LogP1.37
Rot. Bonds

About cis-(2R,6S)-4-hydroxy-2,4,6-trimethylcyclohexan-1-one

cis-(2R,6S)-4-hydroxy-2,4,6-trimethylcyclohexan-1-one (PubChem CID 91620799) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is cis-(2R,6S)-4-hydroxy-2,4,6-trimethylcyclohexan-1-one.

Molecular Properties

Compound Namecis-(2R,6S)-4-hydroxy-2,4,6-trimethylcyclohexan-1-one
PubChem CID91620799
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namecis-(2R,6S)-4-hydroxy-2,4,6-trimethylcyclohexan-1-one
SMILESC[C@@H]1CC(C)(O)C[C@H](C)C1=O
InChIInChI=1S/C9H16O2/c1-6-4-9(3,11)5-7(2)8(6)10/h6-7,11H,4-5H2,1-3H3/t6-,7+,9?
InChIKeyFBISYBGULVJUGP-AVSFMBPQSA-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

(3R)-1,3,4,5-tetramethylcyclohexan-1-ol
CID 70226236
(2R,6S)-2,4,6-trimethylpiperidin-4-ol
CID 168826968
cis-(2S,6R)-2,4,4-trimethyl-6-[(E)-3-oxobut-1-enyl]cyclohexan-1-one
CID 163004329
3-hydroxy-3-methylcyclobutane-1-carboxylic acid
CID 161059263
5-methyl-4-sulfanylidene-1,3-diazinan-2-one
CID 78385770
(1S,5R,7S)-1,3,3,7-tetramethylbicyclo[3.3.1]nonane-2,6,9-trione
CID 139203030
3-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
CID 146015118
2,2,3,3,5-pentamethylcyclopentan-1-one
CID 86146438
1-methyl-3-(methylamino)cyclobutan-1-ol
CID 123473933
cis-(1R,2S)-1,2-dimethylcyclopropane-1-carbaldehyde
CID 12962870
4,7,9-trimethyl-1-prop-1-en-2-ylspiro[4.5]dec-3-en-8-one
CID 154157892
(1S,2R,4R,6R)-4,6-dimethylcyclohexane-1,2,4-triol
CID 142953228

Frequently Asked Questions

What is the IUPAC name of cis-(2R,6S)-4-hydroxy-2,4,6-trimethylcyclohexan-1-one?
The IUPAC name of cis-(2R,6S)-4-hydroxy-2,4,6-trimethylcyclohexan-1-one (CID 91620799) is cis-(2R,6S)-4-hydroxy-2,4,6-trimethylcyclohexan-1-one.
What is the SMILES notation for cis-(2R,6S)-4-hydroxy-2,4,6-trimethylcyclohexan-1-one?
The canonical SMILES for cis-(2R,6S)-4-hydroxy-2,4,6-trimethylcyclohexan-1-one is C[C@@H]1CC(C)(O)C[C@H](C)C1=O.
What is the InChIKey of cis-(2R,6S)-4-hydroxy-2,4,6-trimethylcyclohexan-1-one?
The InChIKey is FBISYBGULVJUGP-AVSFMBPQSA-N. The full InChI is InChI=1S/C9H16O2/c1-6-4-9(3,11)5-7(2)8(6)10/h6-7,11H,4-5H2,1-3H3/t6-,7+,9?.
What are the key properties of cis-(2R,6S)-4-hydroxy-2,4,6-trimethylcyclohexan-1-one?
cis-(2R,6S)-4-hydroxy-2,4,6-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 cis-(2R,6S)-4-hydroxy-2,4,6-trimethylcyclohexan-1-one is sourced from PubChem (CID 91620799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).