[(1R,2R,4R,5R)-5-hydroxy-2-bicyclo[2.2.2]octanyl] acetate

C10H16O3 — CID 14900530

IUPAC[(1R,2R,4R,5R)-5-hydroxy-2-bicyclo[2.2.2]octanyl] acetate
SMILESCC(=O)O[C@@H]1C[C@H]2CC[C@@H]1C[C@H]2O
InChIInChI=1S/C10H16O3/c1-6(11)13-10-5-7-2-3-8(10)4-9(7)12/h7-10,12H,2-5H2,1H3/t7-,8-,9-,10-/m1/s1
InChIKeyBCXKVUQHNOOBEZ-ZYUZMQFOSA-N
MW184.23 g/mol
LogP1.10
Rot. Bonds1

About [(1R,2R,4R,5R)-5-hydroxy-2-bicyclo[2.2.2]octanyl] acetate

[(1R,2R,4R,5R)-5-hydroxy-2-bicyclo[2.2.2]octanyl] acetate (PubChem CID 14900530) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is [(1R,2R,4R,5R)-5-hydroxy-2-bicyclo[2.2.2]octanyl] acetate.

Molecular Properties

Compound Name[(1R,2R,4R,5R)-5-hydroxy-2-bicyclo[2.2.2]octanyl] acetate
PubChem CID14900530
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name[(1R,2R,4R,5R)-5-hydroxy-2-bicyclo[2.2.2]octanyl] acetate
SMILESCC(=O)O[C@@H]1C[C@H]2CC[C@@H]1C[C@H]2O
InChIInChI=1S/C10H16O3/c1-6(11)13-10-5-7-2-3-8(10)4-9(7)12/h7-10,12H,2-5H2,1H3/t7-,8-,9-,10-/m1/s1
InChIKeyBCXKVUQHNOOBEZ-ZYUZMQFOSA-N
XLogP1.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2S,4R,5S)-5-hydroxy-2-bicyclo[2.2.1]heptanyl] acetate
CID 10261524
(6-acetyloxy-3,7-dihydroxy-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-2-yl) acetate
CID 23158088
[(1S,2S,5S,6R)-6-methyl-2-bicyclo[3.3.1]nonanyl] acetate
CID 3086252
[(1R,2R,4R,7R)-7-acetyloxy-2-bicyclo[2.2.1]heptanyl] acetate
CID 124895533
[(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate
CID 67582047
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
(2,3,4-trihydroxycyclopentyl) acetate
CID 14105902
[(1S,2R,5S,6R)-2-hydroxy-6-bicyclo[3.1.1]heptanyl] acetate
CID 45091109
[(1S,2S,3S,4S)-3-hydroxy-2-bicyclo[2.2.1]heptanyl] acetate
CID 6579410
[(1R,2S,3R,4S,5R)-4,5-diacetyloxy-2,3-dihydroxycyclohexyl] acetate
CID 102213375
[(1R,2R,4S,5S)-4-hydroxy-2-bicyclo[3.1.0]hexanyl] acetate
CID 10678468
[(1R,2S,3R,4S)-4-hydroxy-2,3-dimethylcyclopentyl] acetate
CID 130206896

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4R,5R)-5-hydroxy-2-bicyclo[2.2.2]octanyl] acetate?
The IUPAC name of [(1R,2R,4R,5R)-5-hydroxy-2-bicyclo[2.2.2]octanyl] acetate (CID 14900530) is [(1R,2R,4R,5R)-5-hydroxy-2-bicyclo[2.2.2]octanyl] acetate.
What is the SMILES notation for [(1R,2R,4R,5R)-5-hydroxy-2-bicyclo[2.2.2]octanyl] acetate?
The canonical SMILES for [(1R,2R,4R,5R)-5-hydroxy-2-bicyclo[2.2.2]octanyl] acetate is CC(=O)O[C@@H]1C[C@H]2CC[C@@H]1C[C@H]2O.
What is the InChIKey of [(1R,2R,4R,5R)-5-hydroxy-2-bicyclo[2.2.2]octanyl] acetate?
The InChIKey is BCXKVUQHNOOBEZ-ZYUZMQFOSA-N. The full InChI is InChI=1S/C10H16O3/c1-6(11)13-10-5-7-2-3-8(10)4-9(7)12/h7-10,12H,2-5H2,1H3/t7-,8-,9-,10-/m1/s1.
What are the key properties of [(1R,2R,4R,5R)-5-hydroxy-2-bicyclo[2.2.2]octanyl] acetate?
[(1R,2R,4R,5R)-5-hydroxy-2-bicyclo[2.2.2]octanyl] acetate has a molecular weight of 184.23 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4R,5R)-5-hydroxy-2-bicyclo[2.2.2]octanyl] acetate is sourced from PubChem (CID 14900530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).