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(1S,7S)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane

PubChem CID: 10137

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Compound Synonyms PDSNLYSELAIEBU-PQNSMMMDSA-N
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 15.0
Isotope Atom Count 0.0
Molecular Complexity 312.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name (1S,7S)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane
Prediction Hob 1.0
Xlogp 5.1
Molecular Formula C15H24
Prediction Swissadme 0.0
Inchi Key PDSNLYSELAIEBU-PQNSMMMDSA-N
Fcsp3 0.8666666666666667
Logs -6.012
Rotatable Bond Count 0.0
Logd 4.463
Compound Name (1S,7S)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane
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 -4.3074134
Inchi InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11?,12-,13?,15+/m0/s1
Smiles C[C@]12CCCC(C3[C@@H]1CCC3C2=C)(C)C
Nring 3.0
Defined Bond Stereocenter Count 0.0