chempirical

cis-1,4-Diacetoxy-2-butene

C8H12O4CAS 25260-60-0172.18 g/mol

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AlkeneEster

Properties

Molecular formula
C8H12O4
Molar mass
172.18 g/mol
Exact mass
172.0736 Da
Boiling point
120–121 °C (at 18 Torr)
logP
0.67Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
25260-60-0
SMILES
CC(=O)OC/C=CCOC(C)=O
InChIKey
VZUAUHWZIKOMFC-ARJAWSKDSA-N
InChI
InChI=1S/C8H12O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-4H,5-6H2,1-2H3/b4-3-

Weigh it out

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

Names and synonyms

9 names
  • 2-Butene-1,4-diol, 1,4-diacetate, (2Z)-
  • 2-Butene-1,4-diol, diacetate, (Z)-
  • 2-Butene-1,4-diol, diacetate, (2Z)-
  • cis-2-Butene-1,4-diol diacetate
  • (Z)-1,4-Diacetoxybut-2-ene
  • (Z)-4-(Acetyloxy)-2-butenyl acetate
  • (Z)-2-Butene-1,4-diyl diacetate
  • (Z)-1,4-Bis(acetoxy)but-2-ene
  • (Z)-But-2-en-1,4-diyl diacetate

Work with cis-1,4-Diacetoxy-2-butene

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

trans-2-Hexenyl acetate2497-18-972 % similar 2,4-Hexadienyl acetate1516-17-268 % similar Prenyl acetate1191-16-863 % similar Allyl acetate591-87-763 % similar Glycol diacetate111-55-757 % similar Cinnamyl acetate103-54-857 % similar 1-(Acetyloxy)-2-propanone592-20-154 % similar 4-(Acetyloxy)-2-methyl-2-butenal14918-80-054 % similar

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

Same formula

1,4-Cyclohexanedicarboxylic acid1076-97-7 Ethyl 2,4-dioxohexanoate13246-52-1 Diethyl maleate141-05-9 1,2-Cyclohexanedicarboxylic acid1687-30-5 (±)-trans-1,2-Cyclohexanedicarboxylic acid2305-32-0 (3Ar,4S,5R,6as)-hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[B]furan-2-one32233-40-2 1,3-Cyclohexanedicarboxylic acid3971-31-1 Dimethyl allylmalonate40637-56-7

Elsewhere

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