[(1R,5R,6S)-5,6-dihydroxy-4-methoxy-6-methyl-2-oxocyclohex-3-en-1-yl] acetate

C10H14O6 — CID 102222775

IUPAC[(1R,5R,6S)-5,6-dihydroxy-4-methoxy-6-methyl-2-oxocyclohex-3-en-1-yl] acetate
SMILESCOC1=CC(=O)[C@H](OC(C)=O)[C@@](C)(O)[C@H]1O
InChIInChI=1S/C10H14O6/c1-5(11)16-9-6(12)4-7(15-3)8(13)10(9,2)14/h4,8-9,13-14H,1-3H3/t8-,9-,10-/m0/s1
InChIKeyODYIVPXZDYKWBQ-GUBZILKMSA-N
MW230.22 g/mol
LogP-0.86
Rot. Bonds2

About [(1R,5R,6S)-5,6-dihydroxy-4-methoxy-6-methyl-2-oxocyclohex-3-en-1-yl] acetate

[(1R,5R,6S)-5,6-dihydroxy-4-methoxy-6-methyl-2-oxocyclohex-3-en-1-yl] acetate (PubChem CID 102222775) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is [(1R,5R,6S)-5,6-dihydroxy-4-methoxy-6-methyl-2-oxocyclohex-3-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R,5R,6S)-5,6-dihydroxy-4-methoxy-6-methyl-2-oxocyclohex-3-en-1-yl] acetate
PubChem CID102222775
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name[(1R,5R,6S)-5,6-dihydroxy-4-methoxy-6-methyl-2-oxocyclohex-3-en-1-yl] acetate
SMILESCOC1=CC(=O)[C@H](OC(C)=O)[C@@](C)(O)[C@H]1O
InChIInChI=1S/C10H14O6/c1-5(11)16-9-6(12)4-7(15-3)8(13)10(9,2)14/h4,8-9,13-14H,1-3H3/t8-,9-,10-/m0/s1
InChIKeyODYIVPXZDYKWBQ-GUBZILKMSA-N
XLogP-0.86
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(1R,5R,6S)-5,6-dihydroxy-4-methoxy-6-methyl-2-oxocyclohex-3-en-1-yl] acetate with MolForge

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Launch Full Analysis

Related Compounds

4,5-dihydroxy-3-methoxy-5-methylcyclohex-2-en-1-one
CID 72828494
[(1R,5R,6S)-5,6-dihydroxy-4-methoxy-6-methyl-2-oxocyclohex-3-en-1-yl] (1R,2S,4R,5R,8R,9S,11R)-9-formyl-2-(hydroxymethyl)-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylate
CID 73334297
(4R,5R)-4-hydroxy-3-methoxy-5-methylcyclopent-2-en-1-one
CID 130912072
[(3R)-2,2-dimethyl-4-oxoazetidin-3-yl] acetate
CID 59991126
(6,9a-dihydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,6a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-5-yl) acetate
CID 14779612
[(1S,5R,6R,9S)-2,6,10,10-tetramethyl-4,7-dioxo-11-oxatricyclo[7.2.1.01,6]dodec-2-en-5-yl] acetate
CID 15517958
(4R,5R,6S)-6-chloro-4,5-dihydroxy-3-methoxycyclohex-2-en-1-one
CID 162816995
(4S,5R,6R)-6-chloro-4,5-dihydroxy-3-methoxycyclohex-2-en-1-one
CID 131080225
[(2R,3S,4S)-4-acetyloxy-3-hydroxy-3-methyl-5-oxooxolan-2-yl]methyl acetate
CID 139069127
5-hydroxy-4-methoxy-7-oxabicyclo[4.1.0]hept-3-en-2-one
CID 75971482
[(1S,2R,3S,4R)-1,3,4,8-tetrahydroxy-6-methoxy-3-methyl-9,10-dioxo-2,4-dihydro-1H-anthracen-2-yl] acetate
CID 57380591
(5-acetyloxy-4-oxo-2-prop-1-enylcyclopent-2-en-1-yl) acetate
CID 75168992

Frequently Asked Questions

What is the IUPAC name of [(1R,5R,6S)-5,6-dihydroxy-4-methoxy-6-methyl-2-oxocyclohex-3-en-1-yl] acetate?
The IUPAC name of [(1R,5R,6S)-5,6-dihydroxy-4-methoxy-6-methyl-2-oxocyclohex-3-en-1-yl] acetate (CID 102222775) is [(1R,5R,6S)-5,6-dihydroxy-4-methoxy-6-methyl-2-oxocyclohex-3-en-1-yl] acetate.
What is the SMILES notation for [(1R,5R,6S)-5,6-dihydroxy-4-methoxy-6-methyl-2-oxocyclohex-3-en-1-yl] acetate?
The canonical SMILES for [(1R,5R,6S)-5,6-dihydroxy-4-methoxy-6-methyl-2-oxocyclohex-3-en-1-yl] acetate is COC1=CC(=O)[C@H](OC(C)=O)[C@@](C)(O)[C@H]1O.
What is the InChIKey of [(1R,5R,6S)-5,6-dihydroxy-4-methoxy-6-methyl-2-oxocyclohex-3-en-1-yl] acetate?
The InChIKey is ODYIVPXZDYKWBQ-GUBZILKMSA-N. The full InChI is InChI=1S/C10H14O6/c1-5(11)16-9-6(12)4-7(15-3)8(13)10(9,2)14/h4,8-9,13-14H,1-3H3/t8-,9-,10-/m0/s1.
What are the key properties of [(1R,5R,6S)-5,6-dihydroxy-4-methoxy-6-methyl-2-oxocyclohex-3-en-1-yl] acetate?
[(1R,5R,6S)-5,6-dihydroxy-4-methoxy-6-methyl-2-oxocyclohex-3-en-1-yl] acetate has a molecular weight of 230.22 g/mol, XLogP of -0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R,6S)-5,6-dihydroxy-4-methoxy-6-methyl-2-oxocyclohex-3-en-1-yl] acetate is sourced from PubChem (CID 102222775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).