chempirical

1,5-Diacetoxypentane

C9H16O4CAS 6963-44-6188.22 g/mol

Open in Covalent MOL file
OOOO
Ester

Properties

Molecular formula
C9H16O4
Molar mass
188.22 g/mol
Exact mass
188.1049 Da
Density
1.02 g/mL (at 26 °C)
Boiling point
244 °C
logP
1.28Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6

Identifiers

CAS number
6963-44-6
SMILES
CC(=O)OCCCCCOC(C)=O
InChIKey
PIJBVCVBCQOWMM-UHFFFAOYSA-N
InChI
InChI=1S/C9H16O4/c1-8(10)12-6-4-3-5-7-13-9(2)11/h3-7H2,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • 1,5-Pentanediol, 1,5-diacetate
  • 1,5-Pentanediol, diacetate
  • 1,5-Pentylene glycol diacetate
  • 1,5-Pentanediyl diacetate
  • Pentamethylene diacetate
  • NSC 53781

Work with 1,5-Diacetoxypentane

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

Hexylene glycol diacetate6222-17-9100 % similar Butylene glycol diacetate628-67-194 % similar 1,3-Diacetoxypropane628-66-084 % similar Heptyl acetate112-06-178 % similar Octyl acetate112-14-178 % similar Decyl acetate112-17-478 % similar Dodecyl acetate112-66-378 % similar Hexyl acetate142-92-778 % similar

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

Same formula

Azelaic acid123-99-9 Diisopropyl malonate13195-64-7 1,3-Diethyl 2-ethylpropanedioate133-13-1 Dipropylmalonic acid1636-27-7 Dimethyl pimelate1732-08-7 Dimethyl diethylmalonate27132-23-6 Ethyl 3,3-diethoxy-2-propenoate32002-24-7 1-(1,1-Dimethylethyl) 3-ethyl propanedioate32864-38-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook