rac-(1R,4S)-4-Hydroxycyclopent-2-en-1-yl acetate

C₇H₁₀O₃CAS 60410-16-4142.15 g/mol

Open in Covalent MOL file

Alcohol Alkene Ester

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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1
Stereocentres: R, Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

12 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,4S)-(+)-4-Hydroxy-2-cyclopentenyl acetate
(+)-(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

Reactions

Enantioselective hydrolysis of cis-3,5-diacetoxycyclopentene: (1R,4S)-(+)-4-hydroxy-2-cyclopentenyl acetate (4-Cyclopentene-1,3-diol, monoacetate, (1R-cis)-)product

Work with rac-(1R,4S)-4-Hydroxycyclopent-2-en-1-yl 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 D-Diacetyltartaric anhydride70728-23-338 % similar 1-Octen-3-yl acetate2442-10-638 % similar Isopropyl acetate108-21-438 % similar 2,3-Diacetoxybutane1114-92-738 % similar Triacetin102-76-137 % 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 Ethyl 3-oxopent-4-enoate22418-80-0 5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone27538-09-6 Homofuraneol27538-10-9 2,2-Dimethylglutaric anhydride2938-48-9

Elsewhere

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