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CID 10099

PubChem CID: 10099

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Compound Synonyms (2R,5S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene, 1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, (3R,3aS,7S,8aS)-
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 15.0
Isotope Atom Count 0.0
Molecular Complexity 323.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name (2R,5S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
Prediction Hob 1.0
Xlogp 4.6
Molecular Formula C15H24
Prediction Swissadme 0.0
Inchi Key IRAQOCYXUMOFCW-UQJCBBSYSA-N
Fcsp3 0.8666666666666667
Logs -5.752
Rotatable Bond Count 0.0
Logd 4.731
Compound Name CID 10099
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 4.0
Total Bond Stereocenter Count 0.0
Esol -4.0176134
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
Smiles C[C@@H]1CC[C@@H]2C13CC=C(C(C3)C2(C)C)C
Nring 3.0
Defined Bond Stereocenter Count 0.0