chempirical

Pentadecalactone

C15H28O2CAS 106-02-5240.39 g/mol

Open in Covalent MOL file
OO
EsterLactone

Properties

Molecular formula
C15H28O2
Molar mass
240.39 g/mol
Exact mass
240.2089 Da
Melting point
32 °C
Boiling point
176 °C
logP
4.61Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 1,826 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, P501

Identifiers

CAS number
106-02-5
SMILES
O=C1CCCCCCCCCCCCCCO1
InChIKey
FKUPPRZPSYCDRS-UHFFFAOYSA-N
InChI
InChI=1S/C15H28O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h1-14H2

Weigh it out

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Names and synonyms

20 names · show all
  • Oxacyclohexadecan-2-one
  • Pentadecanoic acid, 15-hydroxy-, ξ-lactone
  • Exaltolide
  • Pentadecanolide
  • Thibetolide
  • 1,15-Pentadecanolide
  • Cyclopentadecanolide
  • 2-Pentadecalone
  • Muskalactone
  • 15-Pentadecanolide
  • Pentadecanolactone
  • Pentalide
  • 15-Hydroxypentadecanoic acid lactone
  • 1-Oxacyclohexadecan-2-one
  • NSC 36763
  • CPE 215
  • Cpd Supra
  • ω-Pentadecalactone
  • Macrolide supra
  • 15-Pentadecanolactone

Work with Pentadecalactone

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

Hexadecanolide109-29-5100 % similar Polycaprolactone24980-41-4100 % similar Caprolactone502-44-3100 % similar Delta-valerolactone542-28-994 % similar 11-Oxahexadecanolide3391-83-186 % similar 1,6-Dioxacycloheptadecan-7-one6707-60-486 % similar Ethylene brassylate105-95-384 % similar Gamma-butyrolactone96-48-079 % similar

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

Same formula

Lauryl acrylate2156-97-0 Hydrogenated bisphenol A80-04-6 3,7-Diethyl-3,7-dimethyl-4,6-nonanedione865193-73-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook