chempirical

(-)-Isolongifolene

C15H24CAS 1135-66-6204.36 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C15H24
Molar mass
204.36 g/mol
Exact mass
204.1878 Da
Density
0.9295 g/mL (at 25 °C)
Boiling point
107 °C (at 7 Torr)
logP
4.56Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
1135-66-6
SMILES
CC1(C)C2=CCCC(C)(C)[C@]23CC[C@H]1C3
InChIKey
CQUAYTJDLQBXCQ-NHYWBVRUSA-N
InChI
InChI=1S/C15H24/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h6,11H,5,7-10H2,1-4H3/t11-,15-/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • 2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S,4aR)-
  • Isolongifolene
  • 2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S,4aR)-(-)-
  • 2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S)-
  • (2S,4aR)-1,3,4,5,6,7-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene

Work with (-)-Isolongifolene

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

Theaspirane36431-72-835 % similar (+)-Fenchone4695-62-934 % similar (-)-Fenchone7787-20-434 % similar

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

Same formula

n-Nonylbenzene1081-77-2 3,5-Di-tert-butyltoluene15181-11-0 β-Farnesene18794-84-8 (-)-Cedrene469-61-4 Longifolene475-20-7 γ-Bisabolene495-62-5 (-)-β-Elemene515-13-9 Humulene6753-98-6

Elsewhere

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