chempirical

(-)-Cedrene

C15H24CAS 469-61-4204.36 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C15H24
Molar mass
204.36 g/mol
Exact mass
204.1878 Da
logP
4.42Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0
Stereocentres
S, S, S, Rin SMILES atom order

Identifiers

CAS number
469-61-4
SMILES
CC1=CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@H]3C
InChIKey
IRAQOCYXUMOFCW-OSFYFWSMSA-N
InChI
InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m1/s1

Weigh it out

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

Names and synonyms

8 names
  • 1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, (3R,3aS,7S,8aS)-
  • Cedr-8-ene
  • α-Cedrene
  • 1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, [3R-(3α,3aβ,7β,8aα)]-
  • (3R,3aS,7S,8aS)-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene
  • Levo-α-cedrene
  • (-)-α-Cedrene
  • [3R-(3α,3Aβ,7β,8αa)]-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene

Work with (-)-Cedrene

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

Acetylcedrene32388-55-948 % similar Cedryl acetate77-54-341 % similar Cedrol77-53-239 % similar (3R,3As,6S,7R,8as)-octahydro-6-methoxy-3,6,8,8-tetramethyl-1H-3A,7-methanoazulene19870-74-738 % similar (±)-α-Pinene2437-95-838 % similar (-)-α-Pinene7785-26-438 % similar (1R)-α-Pinene7785-70-838 % similar α-Pinene80-56-838 % similar

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

Same formula

n-Nonylbenzene1081-77-2 (-)-Isolongifolene1135-66-6 3,5-Di-tert-butyltoluene15181-11-0 β-Farnesene18794-84-8 Longifolene475-20-7 γ-Bisabolene495-62-5 (-)-β-Elemene515-13-9 Humulene6753-98-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook