[(4R)-4-hydroxycyclopent-2-en-1-yl] acetate

C7H10O3 — CID 67767382

IUPAC[(4R)-4-hydroxycyclopent-2-en-1-yl] acetate
SMILESCC(=O)OC1C=C[C@H](O)C1
InChIInChI=1S/C7H10O3/c1-5(8)10-7-3-2-6(9)4-7/h2-3,6-7,9H,4H2,1H3/t6-,7?/m0/s1
InChIKeyIJDYOKVVRXZCFD-PKPIPKONSA-N
MW142.15 g/mol
LogP0.24
Rot. Bonds1

About [(4R)-4-hydroxycyclopent-2-en-1-yl] acetate

[(4R)-4-hydroxycyclopent-2-en-1-yl] acetate (PubChem CID 67767382) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is [(4R)-4-hydroxycyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(4R)-4-hydroxycyclopent-2-en-1-yl] acetate
PubChem CID67767382
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name[(4R)-4-hydroxycyclopent-2-en-1-yl] acetate
SMILESCC(=O)OC1C=C[C@H](O)C1
InChIInChI=1S/C7H10O3/c1-5(8)10-7-3-2-6(9)4-7/h2-3,6-7,9H,4H2,1H3/t6-,7?/m0/s1
InChIKeyIJDYOKVVRXZCFD-PKPIPKONSA-N
XLogP0.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1R)-4-hydroxycyclopent-2-en-1-yl] acetate
CID 90185782
[(1S,4R)-4-hydroxycyclopent-2-en-1-yl] methyl carbonate
CID 18647346
[(1S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclohept-2-en-1-yl] acetate
CID 11012042
[(1R,4S)-4-methylcyclopent-2-en-1-yl] acetate
CID 1277673
[(1R,4R,5S)-4-acetyloxy-5-methylcyclohex-2-en-1-yl] acetate
CID 13377895
[(1S,4S,5S)-4,5-diacetyloxycyclohex-2-en-1-yl] acetate
CID 125475095
[(1R,4R)-4-acetyloxycyclopent-2-en-1-yl] 2,2-dimethylpropanoate
CID 12846337
acetic acid;(1R,3R)-cyclopent-4-ene-1,3-diol
CID 71400880
1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl acetate
CID 154082194
2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl acetate
CID 68997394
acetic acid;(1R,4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-ol
CID 71355555
dimethyl (1S,2S,5S)-5-acetyloxycyclohex-3-ene-1,2-dicarboxylate
CID 11010573

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-hydroxycyclopent-2-en-1-yl] acetate?
The IUPAC name of [(4R)-4-hydroxycyclopent-2-en-1-yl] acetate (CID 67767382) is [(4R)-4-hydroxycyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(4R)-4-hydroxycyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(4R)-4-hydroxycyclopent-2-en-1-yl] acetate is CC(=O)OC1C=C[C@H](O)C1.
What is the InChIKey of [(4R)-4-hydroxycyclopent-2-en-1-yl] acetate?
The InChIKey is IJDYOKVVRXZCFD-PKPIPKONSA-N. The full InChI is InChI=1S/C7H10O3/c1-5(8)10-7-3-2-6(9)4-7/h2-3,6-7,9H,4H2,1H3/t6-,7?/m0/s1.
What are the key properties of [(4R)-4-hydroxycyclopent-2-en-1-yl] acetate?
[(4R)-4-hydroxycyclopent-2-en-1-yl] acetate has a molecular weight of 142.15 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-hydroxycyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 67767382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).