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(+)-Aromadendrene

PubChem CID: 11095734

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Compound Synonyms (+)-AROMADENDRENE, 489-39-4, Aromadendrene, MFCD00062951, (1aR,4aR,7R,7aR,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene, 72747-25-2, (1R,2S,8R,11R)-7-Methylene-3,3,11-trimethyltricyclo[6.3.0.02.4]undecane, (+/-)-Aromadendrene, EINECS 207-694-6, (-)-AROMADENDRENE II, CHEMBL2269083, DTXSID60862020, DTXSID80881253, ITYNGVSTWVVPIC-XVIXHAIJSA-N, HY-N8411, STL570264, AKOS015913965, AT37012, FS-8196, 1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-4-methylene-, (1aR,4aR,7R,7aR,7bS)-, (1AR-(1aalpha,4aalpha,7alpha,7abeta,7balpha))-decahydro-1,1,7-trimethyl-4-methylene-1H-cycloprop(e)azulene, DA-61217, FA159298, 1ST169809, CS-0144117, (+)-Aromadendrene, >=97.0% (sum of enantiomers, GC), (1aR,4aR,7R,7aR,7bS)-1,1,7-Trimethyl-4-methylidenedecahydro-1H-cyclopropa[e]azulene, (1AR,4AR,7R,7AR,7BS)-1,1,7-TRIMETHYL-4-METHYLIDENE-OCTAHYDRO-1AH-CYCLOPROPA[E]AZULENE
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 15.0
Isotope Atom Count 0.0
Molecular Complexity 299.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 5.0
Iupac Name (1aR,4aR,7R,7aR,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
Prediction Hob 0.0
Xlogp 4.7
Molecular Formula C15H24
Prediction Swissadme 0.0
Inchi Key ITYNGVSTWVVPIC-XVIXHAIJSA-N
Fcsp3 0.8666666666666667
Logs -6.086
Rotatable Bond Count 0.0
Logd 5.432
Compound Name (+)-Aromadendrene
Prediction Hob Swissadme 0.0
Exact Mass 204.188
Formal Charge 0.0
Monoisotopic Mass 204.188
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 204.35
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Esol -4.074313399999999
Inchi InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10-,11+,12-,13-,14-/m1/s1
Smiles C[C@@H]1CC[C@@H]2[C@@H]1[C@H]3[C@H](C3(C)C)CCC2=C
Nring 3.0
Defined Bond Stereocenter Count 0.0