[(1S,2R)-1,2-dihydroxy-5-oxocyclopent-3-en-1-yl]methyl acetate

C8H10O5 — CID 10397526

IUPAC[(1S,2R)-1,2-dihydroxy-5-oxocyclopent-3-en-1-yl]methyl acetate
SMILESCC(=O)OC[C@@]1(O)C(=O)C=C[C@H]1O
InChIInChI=1S/C8H10O5/c1-5(9)13-4-8(12)6(10)2-3-7(8)11/h2-3,6,10,12H,4H2,1H3/t6-,8+/m1/s1
InChIKeyDVJGIZJCFYOLFM-SVRRBLITSA-N
MW186.16 g/mol
LogP-1.22
Rot. Bonds2

About [(1S,2R)-1,2-dihydroxy-5-oxocyclopent-3-en-1-yl]methyl acetate

[(1S,2R)-1,2-dihydroxy-5-oxocyclopent-3-en-1-yl]methyl acetate (PubChem CID 10397526) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is [(1S,2R)-1,2-dihydroxy-5-oxocyclopent-3-en-1-yl]methyl acetate.

Molecular Properties

Compound Name[(1S,2R)-1,2-dihydroxy-5-oxocyclopent-3-en-1-yl]methyl acetate
PubChem CID10397526
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name[(1S,2R)-1,2-dihydroxy-5-oxocyclopent-3-en-1-yl]methyl acetate
SMILESCC(=O)OC[C@@]1(O)C(=O)C=C[C@H]1O
InChIInChI=1S/C8H10O5/c1-5(9)13-4-8(12)6(10)2-3-7(8)11/h2-3,6,10,12H,4H2,1H3/t6-,8+/m1/s1
InChIKeyDVJGIZJCFYOLFM-SVRRBLITSA-N
XLogP-1.22
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1,2-dihydroxy-5-oxocyclopentyl)methyl acetate
CID 130146422
(4S,5R)-5-hydroxy-4-methoxy-5-(methoxymethyl)cyclopent-2-en-1-one
CID 14566528
[(1S,5R,6S)-6-acetyloxy-5-benzoyloxy-1-hydroxy-2-oxocyclohex-3-en-1-yl]methyl benzoate
CID 101110143
1-[(1R,2S)-1,2-dihydroxy-5-oxocyclopent-3-en-1-yl]pentadecyl acetate
CID 11349581
[(1R,2S,3R)-1-hydroxy-3-[(2Z)-6-methylhepta-2,5-dien-2-yl]-2-[(1S,2R)-2-methyl-5-oxocyclopent-3-en-1-yl]cyclopentyl]methyl acetate
CID 15747913
(1-tert-butylcyclopropyl)methyl acetate
CID 89402636
[1-(sulfanylmethyl)cyclopropyl]methyl acetate
CID 150919960
[(1R,2S,4R,5S)-2-acetyloxy-4-hydroxy-1-bicyclo[3.1.0]hexanyl]methyl acetate
CID 11031609
methyl (8R,9S,10R,13S,14S,17S)-17-(acetyloxymethyl)-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17-carboxylate
CID 70017227
(1R,5R,7R,8R)-1-hydroxy-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one
CID 102406005
(1,3-dihydroxy-2,2-dimethylcyclopentyl)methyl acetate
CID 156768140
(1-tert-butylcyclopentyl)methyl acetate
CID 21363579

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-1,2-dihydroxy-5-oxocyclopent-3-en-1-yl]methyl acetate?
The IUPAC name of [(1S,2R)-1,2-dihydroxy-5-oxocyclopent-3-en-1-yl]methyl acetate (CID 10397526) is [(1S,2R)-1,2-dihydroxy-5-oxocyclopent-3-en-1-yl]methyl acetate.
What is the SMILES notation for [(1S,2R)-1,2-dihydroxy-5-oxocyclopent-3-en-1-yl]methyl acetate?
The canonical SMILES for [(1S,2R)-1,2-dihydroxy-5-oxocyclopent-3-en-1-yl]methyl acetate is CC(=O)OC[C@@]1(O)C(=O)C=C[C@H]1O.
What is the InChIKey of [(1S,2R)-1,2-dihydroxy-5-oxocyclopent-3-en-1-yl]methyl acetate?
The InChIKey is DVJGIZJCFYOLFM-SVRRBLITSA-N. The full InChI is InChI=1S/C8H10O5/c1-5(9)13-4-8(12)6(10)2-3-7(8)11/h2-3,6,10,12H,4H2,1H3/t6-,8+/m1/s1.
What are the key properties of [(1S,2R)-1,2-dihydroxy-5-oxocyclopent-3-en-1-yl]methyl acetate?
[(1S,2R)-1,2-dihydroxy-5-oxocyclopent-3-en-1-yl]methyl acetate has a molecular weight of 186.16 g/mol, XLogP of -1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-1,2-dihydroxy-5-oxocyclopent-3-en-1-yl]methyl acetate is sourced from PubChem (CID 10397526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).