[(1R,2R,4S,5S)-4-hydroxy-2-bicyclo[3.1.0]hexanyl] acetate

C8H12O3 — CID 10678468

IUPAC[(1R,2R,4S,5S)-4-hydroxy-2-bicyclo[3.1.0]hexanyl] acetate
SMILESCC(=O)O[C@@H]1C[C@H](O)[C@H]2C[C@H]21
InChIInChI=1S/C8H12O3/c1-4(9)11-8-3-7(10)5-2-6(5)8/h5-8,10H,2-3H2,1H3/t5-,6+,7-,8+/m0/s1
InChIKeyLCDAUHCMSYLFIY-FKSUSPILSA-N
MW156.18 g/mol
LogP0.32
Rot. Bonds1

About [(1R,2R,4S,5S)-4-hydroxy-2-bicyclo[3.1.0]hexanyl] acetate

[(1R,2R,4S,5S)-4-hydroxy-2-bicyclo[3.1.0]hexanyl] acetate (PubChem CID 10678468) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is [(1R,2R,4S,5S)-4-hydroxy-2-bicyclo[3.1.0]hexanyl] acetate.

Molecular Properties

Compound Name[(1R,2R,4S,5S)-4-hydroxy-2-bicyclo[3.1.0]hexanyl] acetate
PubChem CID10678468
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name[(1R,2R,4S,5S)-4-hydroxy-2-bicyclo[3.1.0]hexanyl] acetate
SMILESCC(=O)O[C@@H]1C[C@H](O)[C@H]2C[C@H]21
InChIInChI=1S/C8H12O3/c1-4(9)11-8-3-7(10)5-2-6(5)8/h5-8,10H,2-3H2,1H3/t5-,6+,7-,8+/m0/s1
InChIKeyLCDAUHCMSYLFIY-FKSUSPILSA-N
XLogP0.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R,2R,4S,5S)-4-hydroxy-2-bicyclo[3.1.0]hexanyl] acetate with MolForge

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Related Compounds

(2,3,4-trihydroxycyclopentyl) acetate
CID 14105902
[(1S,2S,4R,5R)-4-hydroxy-2-bicyclo[3.1.0]hexanyl] (2S)-2-bromopropanoate
CID 10399792
[(1R,2S,3R,4S)-4-hydroxy-2,3-dimethylcyclopentyl] acetate
CID 130206896
[(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate
CID 67582047
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
(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
[(1R,2R,3R,4R)-2,3,4-triacetyloxycyclopentyl] acetate
CID 101209546
CID 101122264
CID 101122264
[(1R,2S,4R,5S)-5-hydroxy-2-bicyclo[2.2.1]heptanyl] acetate
CID 10261524
[(1S,2S,6S,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl] acetate
CID 98078056
[(1S,2S,6S,7R,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl] acetate
CID 98048334
[(6R)-8-tricyclo[5.2.1.02,6]dec-4-enyl] acetate
CID 89153529

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4S,5S)-4-hydroxy-2-bicyclo[3.1.0]hexanyl] acetate?
The IUPAC name of [(1R,2R,4S,5S)-4-hydroxy-2-bicyclo[3.1.0]hexanyl] acetate (CID 10678468) is [(1R,2R,4S,5S)-4-hydroxy-2-bicyclo[3.1.0]hexanyl] acetate.
What is the SMILES notation for [(1R,2R,4S,5S)-4-hydroxy-2-bicyclo[3.1.0]hexanyl] acetate?
The canonical SMILES for [(1R,2R,4S,5S)-4-hydroxy-2-bicyclo[3.1.0]hexanyl] acetate is CC(=O)O[C@@H]1C[C@H](O)[C@H]2C[C@H]21.
What is the InChIKey of [(1R,2R,4S,5S)-4-hydroxy-2-bicyclo[3.1.0]hexanyl] acetate?
The InChIKey is LCDAUHCMSYLFIY-FKSUSPILSA-N. The full InChI is InChI=1S/C8H12O3/c1-4(9)11-8-3-7(10)5-2-6(5)8/h5-8,10H,2-3H2,1H3/t5-,6+,7-,8+/m0/s1.
What are the key properties of [(1R,2R,4S,5S)-4-hydroxy-2-bicyclo[3.1.0]hexanyl] acetate?
[(1R,2R,4S,5S)-4-hydroxy-2-bicyclo[3.1.0]hexanyl] acetate has a molecular weight of 156.18 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4S,5S)-4-hydroxy-2-bicyclo[3.1.0]hexanyl] acetate is sourced from PubChem (CID 10678468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).