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(1aS,1bS,3S,5aS,6aS)-3-(2-hydroxypropan-2-yl)-1a,5a-dimethyl-1b,2,3,5,6,6a-hexahydro-1H-cyclopropa[a]inden-4-one

PubChem CID: 57398335

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Compound Synonyms CHEMBL1956945
Topological Polar Surface Area 37.3
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 17.0
Isotope Atom Count 0.0
Molecular Complexity 386.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 5.0
Uniprot Id n.a.
Iupac Name (1aS,1bS,3S,5aS,6aS)-3-(2-hydroxypropan-2-yl)-1a,5a-dimethyl-1b,2,3,5,6,6a-hexahydro-1H-cyclopropa[a]inden-4-one
Prediction Hob 1.0
Xlogp 3.0
Molecular Formula C15H24O2
Prediction Swissadme 1.0
Inchi Key ZUTBZJSJTAUXPB-SLFYDOTPSA-N
Fcsp3 0.9333333333333332
Logs -1.147
Rotatable Bond Count 1.0
Logd 2.325
Compound Name (1aS,1bS,3S,5aS,6aS)-3-(2-hydroxypropan-2-yl)-1a,5a-dimethyl-1b,2,3,5,6,6a-hexahydro-1H-cyclopropa[a]inden-4-one
Prediction Hob Swissadme 1.0
Exact Mass 236.178
Formal Charge 0.0
Monoisotopic Mass 236.178
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 236.35
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Esol -3.135701
Inchi InChI=1S/C15H24O2/c1-13(2,17)10-5-12-14(3,8-11(10)16)6-9-7-15(9,12)4/h9-10,12,17H,5-8H2,1-4H3/t9-,10-,12+,14+,15+/m1/s1
Smiles C[C@@]12C[C@@H]3C[C@@]3([C@H]1C[C@H](C(=O)C2)C(C)(C)O)C
Nring 3.0
Defined Bond Stereocenter Count 0.0