[(1S,5R,6R)-6-acetyloxy-5-hydroxy-4-oxocyclohex-2-en-1-yl] acetate

C10H12O6 — CID 10680831

IUPAC[(1S,5R,6R)-6-acetyloxy-5-hydroxy-4-oxocyclohex-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1[C@@H](OC(C)=O)C=CC(=O)[C@@H]1O
InChIInChI=1S/C10H12O6/c1-5(11)15-8-4-3-7(13)9(14)10(8)16-6(2)12/h3-4,8-10,14H,1-2H3/t8-,9-,10-/m0/s1
InChIKeyRHXLIIUCQAQMMZ-GUBZILKMSA-N
MW228.20 g/mol
LogP-0.65
Rot. Bonds2

About [(1S,5R,6R)-6-acetyloxy-5-hydroxy-4-oxocyclohex-2-en-1-yl] acetate

[(1S,5R,6R)-6-acetyloxy-5-hydroxy-4-oxocyclohex-2-en-1-yl] acetate (PubChem CID 10680831) has the molecular formula C10H12O6 and a molecular weight of 228.20 g/mol. Its IUPAC name is [(1S,5R,6R)-6-acetyloxy-5-hydroxy-4-oxocyclohex-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1S,5R,6R)-6-acetyloxy-5-hydroxy-4-oxocyclohex-2-en-1-yl] acetate
PubChem CID10680831
Molecular FormulaC10H12O6
Molecular Weight228.20 g/mol
Exact Mass228.06
IUPAC Name[(1S,5R,6R)-6-acetyloxy-5-hydroxy-4-oxocyclohex-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1[C@@H](OC(C)=O)C=CC(=O)[C@@H]1O
InChIInChI=1S/C10H12O6/c1-5(11)15-8-4-3-7(13)9(14)10(8)16-6(2)12/h3-4,8-10,14H,1-2H3/t8-,9-,10-/m0/s1
InChIKeyRHXLIIUCQAQMMZ-GUBZILKMSA-N
XLogP-0.65
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R,2R,6S)-2-acetyloxy-5-oxo-6-propanoyloxycyclohex-3-en-1-yl] propanoate
CID 10613997
[(1S,4R,5R,6S)-5,6-diacetyloxy-4-hydroxycyclohex-2-en-1-yl] acetate
CID 14803164
[(1S,4S,5S,6S)-6-acetyloxy-4,5-dihydroxycyclohex-2-en-1-yl] acetate
CID 102518583
[(1R,4S,5R,6S)-6-acetyloxy-4,5-dihydroxycyclohex-2-en-1-yl] acetate
CID 101203630
[(1S,4S,5S,6R)-6-acetyloxy-4,5-dihydroxycyclohex-2-en-1-yl] acetate
CID 11128106
methyl 2-(2-acetyloxy-5-oxocyclopent-3-en-1-yl)acetate
CID 14089289
(4-oxo-5-pentylcyclopent-2-en-1-yl) acetate
CID 14097491
[(1R,6R)-6-acetyloxycyclohexa-2,4-dien-1-yl] acetate
CID 12651509
[(1R,2R,3R,6R)-2-acetyloxy-7-oxabicyclo[4.1.0]hept-4-en-3-yl] acetate
CID 101203626
(6-methyl-5-oxo-2H-pyran-2-yl) acetate
CID 13031642
(1S,5R,6R)-5,6-diacetyloxycyclohex-3-ene-1-carboxylic acid
CID 71355610
[(2S,3S)-3-hydroxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl] acetate
CID 134856342

Frequently Asked Questions

What is the IUPAC name of [(1S,5R,6R)-6-acetyloxy-5-hydroxy-4-oxocyclohex-2-en-1-yl] acetate?
The IUPAC name of [(1S,5R,6R)-6-acetyloxy-5-hydroxy-4-oxocyclohex-2-en-1-yl] acetate (CID 10680831) is [(1S,5R,6R)-6-acetyloxy-5-hydroxy-4-oxocyclohex-2-en-1-yl] acetate.
What is the SMILES notation for [(1S,5R,6R)-6-acetyloxy-5-hydroxy-4-oxocyclohex-2-en-1-yl] acetate?
The canonical SMILES for [(1S,5R,6R)-6-acetyloxy-5-hydroxy-4-oxocyclohex-2-en-1-yl] acetate is CC(=O)O[C@H]1[C@@H](OC(C)=O)C=CC(=O)[C@@H]1O.
What is the InChIKey of [(1S,5R,6R)-6-acetyloxy-5-hydroxy-4-oxocyclohex-2-en-1-yl] acetate?
The InChIKey is RHXLIIUCQAQMMZ-GUBZILKMSA-N. The full InChI is InChI=1S/C10H12O6/c1-5(11)15-8-4-3-7(13)9(14)10(8)16-6(2)12/h3-4,8-10,14H,1-2H3/t8-,9-,10-/m0/s1.
What are the key properties of [(1S,5R,6R)-6-acetyloxy-5-hydroxy-4-oxocyclohex-2-en-1-yl] acetate?
[(1S,5R,6R)-6-acetyloxy-5-hydroxy-4-oxocyclohex-2-en-1-yl] acetate has a molecular weight of 228.20 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R,6R)-6-acetyloxy-5-hydroxy-4-oxocyclohex-2-en-1-yl] acetate is sourced from PubChem (CID 10680831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).