Prenyl acetate
Properties
- Molecular formula
- C7H12O2
- Molar mass
- 128.17 g/mol
- Exact mass
- 128.0837 Da
- Density
- 0.9169 g/mL (at 20 °C)
- Boiling point
- 149–151 °C
- logP
- 1.52Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Identifiers
CAS number
1191-16-8SMILES
CC(=O)OCC=C(C)CInChIKey
XXIKYCPRDXIMQM-UHFFFAOYSA-NInChI
InChI=1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
13 names · show all
- 2-Buten-1-ol, 3-methyl-, 1-acetate
- 2-Buten-1-ol, 3-methyl-, acetate
- 3-Methyl-2-buten-1-ol acetate
- 3-Methyl-2-butenyl acetate
- 1-Acetoxy-3-methyl-2-butene
- 3,3-Dimethylallyl acetate
- γ,γ-Dimethylallyl acetate
- Dimethylallyl acetate
- Isopent-2-enyl acetate
- 3-Methyl-2-buten-1-yl acetate
- 3-Methyl-1-acetoxy-2-butene
- Acetic acid 3-methyl-2-butenyl ester
- 2-Methyl-4-acetyloxy-2-butene
Work with Prenyl 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
Geranyl acetate105-87-367 % similar
Neryl acetate141-12-867 % similar
3,7-Dimethyl-2,6-octadienyl acetate16409-44-267 % similar
Geranyl acetate8022-83-167 % similar
Farnesyl acetate29548-30-965 % similar
cis-1,4-Diacetoxy-2-butene25260-60-063 % similar
4-(Acetyloxy)-2-methyl-2-butenal14918-80-059 % similar
Allyl acetate591-87-756 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds