(1,4-dihydroxycyclopent-2-en-1-yl) acetate

C7H10O4 — CID 19431186

IUPAC(1,4-dihydroxycyclopent-2-en-1-yl) acetate
SMILESCC(=O)OC1(O)C=CC(O)C1
InChIInChI=1S/C7H10O4/c1-5(8)11-7(10)3-2-6(9)4-7/h2-3,6,9-10H,4H2,1H3
InChIKeyKPXPDORCDBEZOP-UHFFFAOYSA-N
MW158.15 g/mol
LogP-0.44
Rot. Bonds1

About (1,4-dihydroxycyclopent-2-en-1-yl) acetate

(1,4-dihydroxycyclopent-2-en-1-yl) acetate (PubChem CID 19431186) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is (1,4-dihydroxycyclopent-2-en-1-yl) acetate.

Molecular Properties

Compound Name(1,4-dihydroxycyclopent-2-en-1-yl) acetate
PubChem CID19431186
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name(1,4-dihydroxycyclopent-2-en-1-yl) acetate
SMILESCC(=O)OC1(O)C=CC(O)C1
InChIInChI=1S/C7H10O4/c1-5(8)11-7(10)3-2-6(9)4-7/h2-3,6,9-10H,4H2,1H3
InChIKeyKPXPDORCDBEZOP-UHFFFAOYSA-N
XLogP-0.44
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-methylcyclopent-4-ene-1,3-diol
CID 14083582
(1S,4R)-1,4-dihydroxycyclopent-2-ene-1-carboxamide
CID 14806438
[(3S,4R,5S,6S)-3,4,5,6-tetrahydroxy-4-methoxyoxan-3-yl] acetate
CID 21054039
2-[(1R,4S)-1,4-dihydroxycyclopent-2-en-1-yl]acetic acid
CID 66960465
[(1S)-2,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl] acetate
CID 58065069
(1-hydroxy-3-methylcyclohexyl) acetate
CID 174818482
(3,5-diacetyloxy-1-adamantyl) acetate
CID 14789836
[(1S,3R,6R)-3,7,7-trimethyl-4-oxo-3-bicyclo[4.1.0]heptanyl] acetate
CID 131865122
(1R,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]cyclopent-2-ene-1-carboxylic acid
CID 77068316
(1-aminocyclopropyl) acetate;hydrochloride
CID 118035296
[(2S,4R,5S,6R)-2-chloro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate
CID 142625830
7-oxabicyclo[4.1.0]heptan-1-yl acetate
CID 539060

Frequently Asked Questions

What is the IUPAC name of (1,4-dihydroxycyclopent-2-en-1-yl) acetate?
The IUPAC name of (1,4-dihydroxycyclopent-2-en-1-yl) acetate (CID 19431186) is (1,4-dihydroxycyclopent-2-en-1-yl) acetate.
What is the SMILES notation for (1,4-dihydroxycyclopent-2-en-1-yl) acetate?
The canonical SMILES for (1,4-dihydroxycyclopent-2-en-1-yl) acetate is CC(=O)OC1(O)C=CC(O)C1.
What is the InChIKey of (1,4-dihydroxycyclopent-2-en-1-yl) acetate?
The InChIKey is KPXPDORCDBEZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-5(8)11-7(10)3-2-6(9)4-7/h2-3,6,9-10H,4H2,1H3.
What are the key properties of (1,4-dihydroxycyclopent-2-en-1-yl) acetate?
(1,4-dihydroxycyclopent-2-en-1-yl) acetate has a molecular weight of 158.15 g/mol, XLogP of -0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dihydroxycyclopent-2-en-1-yl) acetate is sourced from PubChem (CID 19431186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).