chempirical

4-Penten-1-yl acetate

C7H12O2CAS 1576-85-8128.17 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C7H12O2
Molar mass
128.17 g/mol
Exact mass
128.0837 Da
Density
0.896 g/mL (at 24 °C)
Boiling point
149–150 °C
logP
1.52Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
1576-85-8
SMILES
C=CCCCOC(C)=O
InChIKey
LVHDNIMNOMRZMF-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O2/c1-3-4-5-6-9-7(2)8/h3H,1,4-6H2,2H3

Weigh it out

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

Names and synonyms

7 names
  • 4-Penten-1-ol, 1-acetate
  • 4-Penten-1-ol, acetate
  • 4-Pentenyl acetate
  • 1-Acetoxy-4-pentene
  • 5-Acetoxy-1-pentene
  • NSC 102504
  • Acetic acid 4-pentenyl ester

Work with 4-Penten-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Diacetoxypropane628-66-062 % similar Butylene glycol diacetate628-67-162 % similar Hexylene glycol diacetate6222-17-959 % similar 1,5-Diacetoxypentane6963-44-659 % similar Allyl acetate591-87-759 % similar Glycol diacetate111-55-754 % similar Butyl acetate123-86-453 % similar Amyl acetate628-63-752 % similar

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

Same formula

3,3-Diethoxy-1-propyne10160-87-9 2-Ethoxy-3,4-dihydro-2H-pyran103-75-3 γ-Heptalactone105-21-5 Isobutyl acrylate106-63-8 6-Heptenoic acid1119-60-4 Cyclopentaneacetic acid1123-00-8 Prenyl acetate1191-16-8 2,2-Dimethyltetrahydropyran-4-one1194-16-7

Elsewhere

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