[(6R)-6-hydroxy-2-bicyclo[2.2.2]octanyl]methyl acetate

C11H18O3 — CID 71299500

IUPAC[(6R)-6-hydroxy-2-bicyclo[2.2.2]octanyl]methyl acetate
SMILESCC(=O)OCC1CC2CCC1[C@H](O)C2
InChIInChI=1S/C11H18O3/c1-7(12)14-6-9-4-8-2-3-10(9)11(13)5-8/h8-11,13H,2-6H2,1H3/t8?,9?,10?,11-/m1/s1
InChIKeyXCVNTISZFHCPTK-AHELAYONSA-N
MW198.26 g/mol
LogP1.35
Rot. Bonds2

About [(6R)-6-hydroxy-2-bicyclo[2.2.2]octanyl]methyl acetate

[(6R)-6-hydroxy-2-bicyclo[2.2.2]octanyl]methyl acetate (PubChem CID 71299500) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is [(6R)-6-hydroxy-2-bicyclo[2.2.2]octanyl]methyl acetate.

Molecular Properties

Compound Name[(6R)-6-hydroxy-2-bicyclo[2.2.2]octanyl]methyl acetate
PubChem CID71299500
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name[(6R)-6-hydroxy-2-bicyclo[2.2.2]octanyl]methyl acetate
SMILESCC(=O)OCC1CC2CCC1[C@H](O)C2
InChIInChI=1S/C11H18O3/c1-7(12)14-6-9-4-8-2-3-10(9)11(13)5-8/h8-11,13H,2-6H2,1H3/t8?,9?,10?,11-/m1/s1
InChIKeyXCVNTISZFHCPTK-AHELAYONSA-N
XLogP1.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Valeriananoid C
CID 25082524
8-Acetoxypatchouli alcohol
CID 25082525
(3-Hydroxy-2-bicyclo[2.2.2]octanyl)methyl 2,2-difluoropropanoate
CID 58226355
[(2S)-2-[(1R,2R,4R)-2-hydroxy-4-methylcyclohexyl]propyl] acetate
CID 67780751
[(1S,4aR,6S,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]methyl acetate
CID 135032104
2-(5-hydroxy-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl)propyl acetate
CID 162985652
(4-Hydroxy-1-adamantyl) acetate
CID 2825184
Cyclohexanol, 3-(acetyloxymethyl)-2,2,4-trimethyl-
CID 536298
[(1R,2R)-2-(2-hydroxyethyl)-1,3,3-trimethylcyclohexyl] acetate
CID 10036750
[(2S)-2-[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]propyl] acetate
CID 11424439
[(1R,4aR,4bS,7R,8S,8aR,10aR)-8-acetyloxy-7-(2-hydroxyethyl)-1,4a,7-trimethyl-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthren-1-yl]methyl acetate
CID 14264159
Bkqjmysuugyyoj-lwexmrfpsa-
CID 14264160

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-hydroxy-2-bicyclo[2.2.2]octanyl]methyl acetate?
The IUPAC name of [(6R)-6-hydroxy-2-bicyclo[2.2.2]octanyl]methyl acetate (CID 71299500) is [(6R)-6-hydroxy-2-bicyclo[2.2.2]octanyl]methyl acetate.
What is the SMILES notation for [(6R)-6-hydroxy-2-bicyclo[2.2.2]octanyl]methyl acetate?
The canonical SMILES for [(6R)-6-hydroxy-2-bicyclo[2.2.2]octanyl]methyl acetate is CC(=O)OCC1CC2CCC1[C@H](O)C2.
What is the InChIKey of [(6R)-6-hydroxy-2-bicyclo[2.2.2]octanyl]methyl acetate?
The InChIKey is XCVNTISZFHCPTK-AHELAYONSA-N. The full InChI is InChI=1S/C11H18O3/c1-7(12)14-6-9-4-8-2-3-10(9)11(13)5-8/h8-11,13H,2-6H2,1H3/t8?,9?,10?,11-/m1/s1.
What are the key properties of [(6R)-6-hydroxy-2-bicyclo[2.2.2]octanyl]methyl acetate?
[(6R)-6-hydroxy-2-bicyclo[2.2.2]octanyl]methyl acetate has a molecular weight of 198.26 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-hydroxy-2-bicyclo[2.2.2]octanyl]methyl acetate is sourced from PubChem (CID 71299500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).