4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one

C10H16O2 — CID 85247154

IUPAC4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one
SMILESCC1C2CCC(O)(CC2=O)C1C
InChIInChI=1S/C10H16O2/c1-6-7(2)10(12)4-3-8(6)9(11)5-10/h6-8,12H,3-5H2,1-2H3
InChIKeyACGLWJHCTXHRQO-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.37
Rot. Bonds

About 4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one

4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one (PubChem CID 85247154) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one.

Molecular Properties

Compound Name4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one
PubChem CID85247154
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one
SMILESCC1C2CCC(O)(CC2=O)C1C
InChIInChI=1S/C10H16O2/c1-6-7(2)10(12)4-3-8(6)9(11)5-10/h6-8,12H,3-5H2,1-2H3
InChIKeyACGLWJHCTXHRQO-UHFFFAOYSA-N
XLogP1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R,3S,4R)-1,3-dimethyl-5-oxobicyclo[2.2.2]octane-2-carboxylic acid
CID 99962200
8a-hydroxy-3-methyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one
CID 131858050
trans-(2R,3R)-3-hydroxy-2,3,4,4-tetramethylcyclohexan-1-one
CID 130993027
4-hydroxybicyclo[2.2.2]octane-2,6-dione
CID 11665446
(1R,4S,6S)-6-hydroxy-4,6-dimethylbicyclo[2.2.2]octan-2-one
CID 15190336
(3aR,4R,6S,7aS)-4-hydroxy-3,3,6-trimethyl-3a,4,5,6,7,7a-hexahydro-2H-inden-1-one
CID 10559805
(1S,11R,14S)-1-hydroxy-14-methylbicyclo[9.4.0]pentadecan-12-one
CID 45380105
(2R,4aR,4bR,8aS,10aR)-2-ethenyl-10a-hydroxy-2,4b,8,8-tetramethyl-3,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-4-one
CID 162871119
(1aR,4aS,7S,7aS,7bR)-7-hydroxy-1,1,7-trimethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-4-one
CID 7099871
4-hydroxy-1,2-dimethylbicyclo[3.2.1]octan-6-one
CID 14357181
7-oxabicyclo[4.1.0]heptan-1-ol
CID 12599618
(3aS,7aS)-1-methyl-1-(2-methylcyclopentyl)-3,3a,5,6,7,7a-hexahydro-2H-inden-4-one
CID 10847318

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one?
The IUPAC name of 4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one (CID 85247154) is 4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one.
What is the SMILES notation for 4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one?
The canonical SMILES for 4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one is CC1C2CCC(O)(CC2=O)C1C.
What is the InChIKey of 4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one?
The InChIKey is ACGLWJHCTXHRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-6-7(2)10(12)4-3-8(6)9(11)5-10/h6-8,12H,3-5H2,1-2H3.
What are the key properties of 4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one?
4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one has a molecular weight of 168.24 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-5,6-dimethylbicyclo[2.2.2]octan-2-one is sourced from PubChem (CID 85247154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).