chempirical

(±)-δ-Hexalactone

C6H10O2CAS 823-22-3114.14 g/mol

Open in Covalent MOL file
OO
EsterLactone

Properties

Molecular formula
C6H10O2
Molar mass
114.14 g/mol
Exact mass
114.0681 Da
Density
1.0162 g/mL (at 20 °C)
Melting point
16–18 °C
Boiling point
101–102 °C (at 11 Torr)
logP
1.10Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
823-22-3
SMILES
CC1CCCC(=O)O1
InChIKey
RZTOWFMDBDPERY-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3

Weigh it out

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

Names and synonyms

19 names · show all
  • 2H-Pyran-2-one, tetrahydro-6-methyl-
  • Hexanoic acid, 5-hydroxy-, lactone
  • Tetrahydro-6-methyl-2H-pyran-2-one
  • Hexanoic acid, 5-hydroxy-, δ-lactone
  • 5-Hydroxyhexanoic acid lactone
  • δ-Hexalactone
  • δ-Methyl-δ-valerolactone
  • δ-Caprolactone
  • 6-Methylvalerolactone
  • δ-Hexanolide
  • (±)-5-Hexanolide
  • (RS)-δ-Hexalactone
  • NSC 134774
  • NSC 32863
  • 6-Methyl-δ-valerolactone
  • 6-Methyltetrahydropyran-2-one
  • 5-Hexanolide
  • 6-Methyl-2H-tetrahydropyran-2-one
  • δ-Hexanolactone

Work with (±)-δ-Hexalactone

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

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

PubChem CAS Common Chemistry NIST WebBook