chempirical

Squalene

C30H50CAS 111-02-4410.73 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C30H50
Molar mass
410.73 g/mol
Exact mass
410.3913 Da
Density
0.8596 g/mL (at 15 °C)
Melting point
below −20 °C
Boiling point
284–285 °C (at 25 Torr)
logP
10.61Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
15
Double bonds
E, EE/Z, in SMILES order

Identifiers

CAS number
111-02-4
SMILES
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(C)CC/C=C(C)CCC=C(C)C
InChIKey
YYGNTYWPHWGJRM-AAJYLUCBSA-N
InChI
InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+

Weigh it out

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

Names and synonyms

12 names
  • 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (6E,10E,14E,18E)-
  • 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (all-E)-
  • (6E,10E,14E,18E)-2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaene
  • Spinacene
  • All-trans-Squalene
  • trans-Squalene
  • Spinacen
  • Squalen
  • (E,E,E,E)-Squalene
  • Nikko squalane EX
  • Super squalene
  • AddaVax

Work with Squalene

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

trans-Farnesol106-28-572 % similar Solanesol13190-97-172 % similar Geranylgeraniol24034-73-972 % similar Farnesol4602-84-072 % similar Farnesylacetone1117-52-869 % similar Teprenone6809-52-569 % similar 6,10-Dimethyl-5,9-undecadien-2-one689-67-869 % similar 6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one762-29-869 % similar

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

Elsewhere

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