chempirical

δ-Undecalactone

C11H20O2CAS 710-04-3184.28 g/mol

Open in Covalent MOL file
OO
EsterLactone

Properties

Molecular formula
C11H20O2
Molar mass
184.28 g/mol
Exact mass
184.1463 Da
Boiling point
145 °C (at 8 Torr)
logP
3.05Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
710-04-3
SMILES
CCCCCCC1CCCC(=O)O1
InChIKey
YZRXRLLRSPQHDK-UHFFFAOYSA-N
InChI
InChI=1S/C11H20O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h10H,2-9H2,1H3

Weigh it out

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

Names and synonyms

13 names · show all
  • 2H-Pyran-2-one, 6-hexyltetrahydro-
  • Undecanoic acid, 5-hydroxy-, δ-lactone
  • Hendecanoic acid, 5-hydroxy-, lactone
  • 6-Hexyltetrahydro-2H-pyran-2-one
  • δ-Hexylvalerolactone
  • δ-Hexyl-δ-valerolactone
  • 5-Hydroxyundecanoic acid lactone
  • 5-Undecanolide
  • (±)-δ-Undecalactone
  • (RS)-δ-Undecalactone
  • δ-Undecanolactone
  • 6-Hexyl-2H-tetrahydropyran-2-one
  • Undecanoic-δ-lactone

Work with δ-Undecalactone

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

Similar compounds

δ-Tetradecalactone2721-22-4100 % similar δ-Dodecalactone713-95-1100 % similar δ-Decalactone705-86-296 % similar ε-Dodecalactone16429-21-393 % similar Gamma-decalactone706-14-986 % similar Delta-nonalactone3301-94-886 % similar Gamma-nonalactone104-61-083 % similar Cyclohexyl butyrate1551-44-679 % similar

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

Same formula

2-Ethylhexyl acrylate103-11-7 γ-Undecalactone104-67-6 Citronellyl formate105-85-1 2,2,6,6-Tetramethyl-3,5-heptanedione1118-71-4 Undecylenic acid112-38-9 Octyl acrylate2499-59-4 cis-3-Hexenyl isovalerate35154-45-1 cis-3-Hexenyl valerate35852-46-1

Elsewhere

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