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

C11H14O6 — CID 23255408

IUPAC[(1S,5R)-5-acetyloxy-5-(methoxymethyl)-4-oxocyclopent-2-en-1-yl] acetate
SMILESCOC[C@]1(OC(C)=O)C(=O)C=C[C@@H]1OC(C)=O
InChIInChI=1S/C11H14O6/c1-7(12)16-10-5-4-9(14)11(10,6-15-3)17-8(2)13/h4-5,10H,6H2,1-3H3/t10-,11-/m0/s1
InChIKeyFEAGJNOPVDWCSJ-QWRGUYRKSA-N
MW242.23 g/mol
LogP0.01
Rot. Bonds4

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

[(1S,5R)-5-acetyloxy-5-(methoxymethyl)-4-oxocyclopent-2-en-1-yl] acetate (PubChem CID 23255408) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is [(1S,5R)-5-acetyloxy-5-(methoxymethyl)-4-oxocyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1S,5R)-5-acetyloxy-5-(methoxymethyl)-4-oxocyclopent-2-en-1-yl] acetate
PubChem CID23255408
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Name[(1S,5R)-5-acetyloxy-5-(methoxymethyl)-4-oxocyclopent-2-en-1-yl] acetate
SMILESCOC[C@]1(OC(C)=O)C(=O)C=C[C@@H]1OC(C)=O
InChIInChI=1S/C11H14O6/c1-7(12)16-10-5-4-9(14)11(10,6-15-3)17-8(2)13/h4-5,10H,6H2,1-3H3/t10-,11-/m0/s1
InChIKeyFEAGJNOPVDWCSJ-QWRGUYRKSA-N
XLogP0.01
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 3-methoxy-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate
CID 2763379
pentenomycin II
CID 198259
[(1S,5R)-5-acetyloxy-4-oxo-2-[(E)-prop-1-enyl]cyclopent-2-en-1-yl] acetate
CID 10879166
2-Cyclopenten-1-one, 5-((acetyloxy)methyl)-4,5-dihydroxy-, (4S-cis)-
CID 3044301
5-Hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl acetate
CID 328264
ethyl (Z)-3-[(4S,5S)-5-acetyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 11299489
[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]-5-oxocyclopent-3-en-1-yl] acetate
CID 53235650
methyl (2R)-2-hydroxy-2-[(2R)-5-oxo-2H-furan-2-yl]propanoate
CID 100958240
Trimethyl 7-oxabicyclo[2.2.1]hepta-2,5-diene-1,2,3-tricarboxylate
CID 101408129
5-O-tert-butyl 3-O-methyl (2R,5R)-5-ethyl-2-hex-1-ynyl-2H-furan-3,5-dicarboxylate
CID 102036964
methyl (2R)-2-hydroxy-2-[(2R)-5-oxo-2H-furan-2-yl]butanoate
CID 102425346
Diethyl 4,5-epoxy-2-hexenedioate
CID 129803461

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-5-acetyloxy-5-(methoxymethyl)-4-oxocyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1S,5R)-5-acetyloxy-5-(methoxymethyl)-4-oxocyclopent-2-en-1-yl] acetate (CID 23255408) is [(1S,5R)-5-acetyloxy-5-(methoxymethyl)-4-oxocyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1S,5R)-5-acetyloxy-5-(methoxymethyl)-4-oxocyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1S,5R)-5-acetyloxy-5-(methoxymethyl)-4-oxocyclopent-2-en-1-yl] acetate is COC[C@]1(OC(C)=O)C(=O)C=C[C@@H]1OC(C)=O.
What is the InChIKey of [(1S,5R)-5-acetyloxy-5-(methoxymethyl)-4-oxocyclopent-2-en-1-yl] acetate?
The InChIKey is FEAGJNOPVDWCSJ-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H14O6/c1-7(12)16-10-5-4-9(14)11(10,6-15-3)17-8(2)13/h4-5,10H,6H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of [(1S,5R)-5-acetyloxy-5-(methoxymethyl)-4-oxocyclopent-2-en-1-yl] acetate?
[(1S,5R)-5-acetyloxy-5-(methoxymethyl)-4-oxocyclopent-2-en-1-yl] acetate has a molecular weight of 242.23 g/mol, XLogP of 0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-5-acetyloxy-5-(methoxymethyl)-4-oxocyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 23255408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).