[(1R,5R)-5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl] acetate

C8H10O5 — CID 131857636

IUPAC[(1R,5R)-5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@@H]1C=CC(=O)[C@@]1(O)CO
InChIInChI=1S/C8H10O5/c1-5(10)13-7-3-2-6(11)8(7,12)4-9/h2-3,7,9,12H,4H2,1H3/t7-,8+/m1/s1
InChIKeyAGNRGFRAFJOXHH-SFYZADRCSA-N
MW186.16 g/mol
LogP-1.22
Rot. Bonds2

About [(1R,5R)-5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl] acetate

[(1R,5R)-5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl] acetate (PubChem CID 131857636) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is [(1R,5R)-5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R,5R)-5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl] acetate
PubChem CID131857636
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name[(1R,5R)-5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@@H]1C=CC(=O)[C@@]1(O)CO
InChIInChI=1S/C8H10O5/c1-5(10)13-7-3-2-6(11)8(7,12)4-9/h2-3,7,9,12H,4H2,1H3/t7-,8+/m1/s1
InChIKeyAGNRGFRAFJOXHH-SFYZADRCSA-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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Frequently Asked Questions

What is the IUPAC name of [(1R,5R)-5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1R,5R)-5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl] acetate (CID 131857636) is [(1R,5R)-5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1R,5R)-5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1R,5R)-5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl] acetate is CC(=O)O[C@@H]1C=CC(=O)[C@@]1(O)CO.
What is the InChIKey of [(1R,5R)-5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl] acetate?
The InChIKey is AGNRGFRAFJOXHH-SFYZADRCSA-N. The full InChI is InChI=1S/C8H10O5/c1-5(10)13-7-3-2-6(11)8(7,12)4-9/h2-3,7,9,12H,4H2,1H3/t7-,8+/m1/s1.
What are the key properties of [(1R,5R)-5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl] acetate?
[(1R,5R)-5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl] 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 [(1R,5R)-5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 131857636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).