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(+)-Bicyclogermacrene

PubChem CID: 5315347

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Compound Synonyms Bicyclogermacrene, (+)-bicyclogermacrene, .beta.-Cyclogermacrane, (1S,2E,6E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene, VPDZRSSKICPUEY-BFPRWLMKSA-N, VPDZRSSKICPUEY-QVIJUPDLSA-N, 3,7,11,11-Tetramethylbicyclo[8.1.0]undeca-2,6-diene, 3,7,11,11-Tetramethylbicyclo[8.1.0]undeca-2,6-diene #, Bicyclo[8.1.0]undeca-2,6-diene, 3,7,11,11-tetramethyl-, (1S,2E,6E,10R)-, Bicyclo[8.1.0]undeca-2,6-diene, 3,7,11,11-tetramethyl-, (E,E)-(1S,10R)-(+)-
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 15.0
Isotope Atom Count 0.0
Molecular Complexity 304.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (2E,6E)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene
Prediction Hob 1.0
Xlogp 4.1
Molecular Formula C15H24
Prediction Swissadme 0.0
Inchi Key VPDZRSSKICPUEY-BFPRWLMKSA-N
Fcsp3 0.7333333333333333
Logs -6.343
Rotatable Bond Count 0.0
Logd 4.78
Compound Name (+)-Bicyclogermacrene
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 2.0
Total Bond Stereocenter Count 2.0
Esol -3.7152133999999988
Inchi InChI=1S/C15H24/c1-11-6-5-7-12(2)10-14-13(9-8-11)15(14,3)4/h6,10,13-14H,5,7-9H2,1-4H3/b11-6+,12-10+
Smiles C/C/1=C\CC/C(=C/C2C(C2(C)C)CC1)/C
Nring 2.0
Defined Bond Stereocenter Count 2.0