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Oplopenone

PubChem CID: 6429350

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Compound Synonyms Oplopenone, .beta.-Dihydroagarofurane, Q67880041
Topological Polar Surface Area 17.1
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 16.0
Isotope Atom Count 0.0
Molecular Complexity 303.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name 1-[(1R,7R)-4-methylidene-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl]ethanone
Prediction Hob 0.0
Xlogp 3.5
Molecular Formula C15H24O
Prediction Swissadme 0.0
Inchi Key YKWVCZPTAAKDIY-JLVJUDLZSA-N
Fcsp3 0.8
Logs -3.759
Rotatable Bond Count 2.0
Logd 3.742
Compound Name Oplopenone
Prediction Hob Swissadme 0.0
Exact Mass 220.183
Formal Charge 0.0
Monoisotopic Mass 220.183
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 220.35
Covalent Unit Count 1.0
Total Atom Stereocenter Count 4.0
Total Bond Stereocenter Count 0.0
Esol -3.2981071999999996
Inchi InChI=1S/C15H24O/c1-9(2)12-6-5-10(3)13-7-8-14(11(4)16)15(12)13/h9,12-15H,3,5-8H2,1-2,4H3/t12-,13?,14+,15?/m1/s1
Smiles CC(C)[C@H]1CCC(=C)C2C1[C@@H](CC2)C(=O)C
Nring 2.0
Defined Bond Stereocenter Count 0.0