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alpha-Fenchyl acetate

PubChem CID: 6427102

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Compound Synonyms .alpha.-Fenchyl acetate, alpha-Fenchyl acetate, Fenchyl acetic acid, .alpha.-Fenchyl acetate, endo, SCHEMBL18076323
Topological Polar Surface Area 26.3
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 14.0
Isotope Atom Count 0.0
Molecular Complexity 269.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name [(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
Prediction Hob 1.0
Xlogp 3.1
Molecular Formula C12H20O2
Prediction Swissadme 1.0
Inchi Key JUWUWIGZUVEFQB-SQLBVSGCSA-N
Fcsp3 0.9166666666666666
Logs -3.234
Rotatable Bond Count 2.0
Logd 3.405
Compound Name alpha-Fenchyl acetate
Prediction Hob Swissadme 1.0
Exact Mass 196.146
Formal Charge 0.0
Monoisotopic Mass 196.146
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 196.29
Covalent Unit Count 1.0
Total Atom Stereocenter Count 3.0
Total Bond Stereocenter Count 0.0
Esol -3.2811979999999994
Inchi InChI=1S/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3/t9?,10-,12?/m1/s1
Smiles CC(=O)O[C@@H]1C(C2CCC1(C2)C)(C)C
Nring 2.0
Defined Bond Stereocenter Count 0.0