chempirical

Methallyl acetate

C6H10O2CAS 820-71-3114.14 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C6H10O2
Molar mass
114.14 g/mol
Exact mass
114.0681 Da
Boiling point
124 °C
logP
1.13Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
820-71-3
SMILES
C=C(C)COC(C)=O
InChIKey
IVKYUXHYUAMPMT-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O2/c1-5(2)4-8-6(3)7/h1,4H2,2-3H3

Weigh it out

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

Names and synonyms

10 names
  • 2-Propen-1-ol, 2-methyl-, 1-acetate
  • 2-Propen-1-ol, 2-methyl-, acetate
  • β-Methallyl acetate
  • 2-Methylallyl acetate
  • 1-Acetoxy-2-methyl-2-propene
  • 3-Acetoxy-2-methylprop-1-ene
  • 2-Methyl-2-propen-1-ol acetate
  • Acetic acid 2-methyl-2-propenyl ester
  • 2-Methyl-2-propenyl acetate
  • Acetic acid methallyl ester

Work with Methallyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(Acetyloxy)-2-propanone592-20-154 % similar Acetoxyacetic acid13831-30-652 % similar Glycol diacetate111-55-750 % similar 2-(Acetyloxy)acetyl chloride13831-31-750 % similar cis-1,4-Diacetoxy-2-butene25260-60-050 % similar 1-(Acetyloxy)-3-chloro-2-propanone40235-68-547 % similar Ethyl acetate141-78-646 % similar 1,3-Diacetoxypropane628-66-046 % similar

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

Same formula

2,2-Dimethylbut-3-enoic acid10276-09-2 4-Methyl-2-pentenoic acid10321-71-8 Allyl glycidyl ether106-92-3 1,5-Hexadiene-3,4-diol1069-23-4 Hexanedial1072-21-5 Hexane-2,5-dione110-13-4 β-Methyl-δ-valerolactone1121-84-2 2-Hexenoic acid1191-04-4

Elsewhere

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