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

C10H12O5 — CID 135043919

IUPAC[(1R,5S)-5-acetyloxy-4-oxocyclohex-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C[C@@H](OC(C)=O)C=CC1=O
InChIInChI=1S/C10H12O5/c1-6(11)14-8-3-4-9(13)10(5-8)15-7(2)12/h3-4,8,10H,5H2,1-2H3/t8-,10-/m0/s1
InChIKeyRQXOZJMAAZRJRN-WPRPVWTQSA-N
MW212.20 g/mol
LogP0.38
Rot. Bonds2

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

[(1R,5S)-5-acetyloxy-4-oxocyclohex-2-en-1-yl] acetate (PubChem CID 135043919) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is [(1R,5S)-5-acetyloxy-4-oxocyclohex-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R,5S)-5-acetyloxy-4-oxocyclohex-2-en-1-yl] acetate
PubChem CID135043919
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name[(1R,5S)-5-acetyloxy-4-oxocyclohex-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C[C@@H](OC(C)=O)C=CC1=O
InChIInChI=1S/C10H12O5/c1-6(11)14-8-3-4-9(13)10(5-8)15-7(2)12/h3-4,8,10H,5H2,1-2H3/t8-,10-/m0/s1
InChIKeyRQXOZJMAAZRJRN-WPRPVWTQSA-N
XLogP0.38
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(8R,16R)-(-)-pyrenophorin
CID 11109605
Ufcywvgymrdumx-pkvxpvjzsa-
CID 11601572
CID 6444323
CID 6444323
Pyrenophorin
CID 5372417
Grahamimycin A
CID 6441867
[(2S)-5-oxo-2H-pyran-2-yl]methyl butanoate
CID 145962393
(3Z,6R,9Z,12R,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione
CID 102239699
Dihydropyrenophorin
CID 139583253
Pestalotioprolide D
CID 139589630
(2,10-Dimethyl-8,13,16-trioxo-1,9-dioxacyclohexadeca-6,14-dien-5-yl) acetate
CID 163029365
[(1R)-4-oxocyclohex-2-en-1-yl] acetate
CID 14228026
(3E,6R,9E,12R,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione
CID 10356400

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-5-acetyloxy-4-oxocyclohex-2-en-1-yl] acetate?
The IUPAC name of [(1R,5S)-5-acetyloxy-4-oxocyclohex-2-en-1-yl] acetate (CID 135043919) is [(1R,5S)-5-acetyloxy-4-oxocyclohex-2-en-1-yl] acetate.
What is the SMILES notation for [(1R,5S)-5-acetyloxy-4-oxocyclohex-2-en-1-yl] acetate?
The canonical SMILES for [(1R,5S)-5-acetyloxy-4-oxocyclohex-2-en-1-yl] acetate is CC(=O)O[C@H]1C[C@@H](OC(C)=O)C=CC1=O.
What is the InChIKey of [(1R,5S)-5-acetyloxy-4-oxocyclohex-2-en-1-yl] acetate?
The InChIKey is RQXOZJMAAZRJRN-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H12O5/c1-6(11)14-8-3-4-9(13)10(5-8)15-7(2)12/h3-4,8,10H,5H2,1-2H3/t8-,10-/m0/s1.
What are the key properties of [(1R,5S)-5-acetyloxy-4-oxocyclohex-2-en-1-yl] acetate?
[(1R,5S)-5-acetyloxy-4-oxocyclohex-2-en-1-yl] acetate has a molecular weight of 212.20 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-5-acetyloxy-4-oxocyclohex-2-en-1-yl] acetate is sourced from PubChem (CID 135043919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).