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Epilubimin

PubChem CID: 21594965

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Compound Synonyms Epilubimin, 10-Epilubimin, 64024-09-5, UNII-24D0Q93GYZ, 24D0Q93GYZ, (3R,5S,6R,8S,10R)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde, Spiro(4.5)decane-6-carboxaldehyde, 8-hydroxy-10-methyl-2-(1-methylethenyl)-, (2R,5S,6R,8S,10R)-, CHEMBL2270656, CHEBI:173708, DTXSID001122409, (2R,5S,6R,8S,10R)-8-Hydroxy-10-methyl-2-(1-methylethenyl)spiro[4.5]decane-6-carboxaldehyde, SPIRO(4.5)DECANE-6-CARBOXALDEHYDE, 8-HYDROXY-10-METHYL-2-(1-METHYLETHENYL)-, (5S-(5.ALPHA.(S*),6.ALPHA.,8.BETA.,10.BETA.))-
Topological Polar Surface Area 37.3
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 17.0
Isotope Atom Count 0.0
Molecular Complexity 323.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 5.0
Iupac Name (3R,5S,6R,8S,10R)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde
Prediction Hob 0.0
Xlogp 3.4
Molecular Formula C15H24O2
Prediction Swissadme 1.0
Inchi Key CEVNHRPKRNTGKO-MRLBHPIUSA-N
Fcsp3 0.8
Logs -2.458
Rotatable Bond Count 2.0
Logd 2.384
Compound Name Epilubimin
Prediction Hob Swissadme 0.0
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 -3.3091009999999996
Inchi InChI=1S/C15H24O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h9,11-14,17H,1,4-8H2,2-3H3/t11-,12-,13+,14+,15+/m1/s1
Smiles C[C@@H]1C[C@@H](C[C@H]([C@]12CC[C@H](C2)C(=C)C)C=O)O
Nring 2.0
Defined Bond Stereocenter Count 0.0