chempirical

(1R,4S)-(+)-4-Hydroxy-2-cyclopentenyl acetate

C7H10O3CAS 60410-16-4142.15 g/mol

Open in Covalent MOL file
OOOH
AlcoholAlkeneEster

Properties

Molecular formula
C7H10O3
Molar mass
142.15 g/mol
Exact mass
142.0630 Da
Melting point
49–51 °C
logP
0.24Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
60410-16-4
SMILES
CC(=O)O[C@H]1C=C[C@@H](O)C1
InChIKey
IJDYOKVVRXZCFD-RQJHMYQMSA-N
InChI
InChI=1S/C7H10O3/c1-5(8)10-7-3-2-6(9)4-7/h2-3,6-7,9H,4H2,1H3/t6-,7+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • 4-Cyclopentene-1,3-diol, 1-acetate, (1R,3S)-
  • 4-Cyclopentene-1,3-diol, monoacetate, (1R-cis)-
  • 4-Cyclopentene-1,3-diol, monoacetate, (1R,3S)-
  • (+)-(1R-Cis)-4-Cyclopentene-1,3-diol monoacetate
  • (1R,3S)-(+)-4-Cyclopentene-1,3-diol 1-acetate
  • (+)-(1R,4S)-4-Hydroxy-2-cyclopenten-1-yl acetate
  • (1R,3S)-(+)-1-Acetoxy-3-hydroxy-4-cyclopentene
  • (1s,4r)-cis-4-Acetoxy-2-cyclopenten-1-ol
  • Acetic acid (1R,4S)-4-hydroxycyclopent-2-enyl ester
  • (1S,4R)-4-Acetoxy-2-cyclopenten-1-ol
  • (1R,4S)-4-Hydroxycyclopent-2-enyl acetate

Work with (1R,4S)-(+)-4-Hydroxy-2-cyclopentenyl acetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Norbornen-2-yl acetate6143-29-942 % similar 4-Methyl-2-pentyl acetate108-84-939 % similar (+)-Diacetyl-L-tartaric anhydride6283-74-538 % similar 1-Octen-3-yl acetate2442-10-638 % similar Isopropyl acetate108-21-438 % similar 2,3-Diacetoxybutane1114-92-738 % similar Triacetin102-76-137 % similar Cyclohexyl acetate622-45-737 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 2-oxocyclopentanecarboxylate10472-24-9 Glycidyl methacrylate106-91-2 Allyl acetoacetate1118-84-9 4-(Acetyloxy)-2-methyl-2-butenal14918-80-0 5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone27538-09-6 Homofuraneol27538-10-9 2,2-Dimethylglutaric anhydride2938-48-9 Methyl β-oxocyclopropanepropanoate32249-35-7

Elsewhere

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