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(1S,4S,5E,7S)-4-methyl-10-methylidene-7-propan-2-ylcyclodec-5-ene-1,4-diol

PubChem CID: 44567152

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Compound Synonyms CHEMBL513802
Topological Polar Surface Area 40.5
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 17.0
Isotope Atom Count 0.0
Molecular Complexity 293.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 3.0
Iupac Name (1S,4S,5E,7S)-4-methyl-10-methylidene-7-propan-2-ylcyclodec-5-ene-1,4-diol
Prediction Hob 1.0
Xlogp 2.7
Molecular Formula C15H26O2
Prediction Swissadme 1.0
Inchi Key NSIOXFVMCTYIOU-UVIYIIQCSA-N
Fcsp3 0.7333333333333333
Logs -3.004
Rotatable Bond Count 1.0
Logd 2.873
Compound Name (1S,4S,5E,7S)-4-methyl-10-methylidene-7-propan-2-ylcyclodec-5-ene-1,4-diol
Prediction Hob Swissadme 1.0
Exact Mass 238.193
Formal Charge 0.0
Monoisotopic Mass 238.193
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 238.37
Covalent Unit Count 1.0
Total Atom Stereocenter Count 3.0
Total Bond Stereocenter Count 1.0
Esol -2.9592002
Inchi InChI=1S/C15H26O2/c1-11(2)13-6-5-12(3)14(16)8-10-15(4,17)9-7-13/h7,9,11,13-14,16-17H,3,5-6,8,10H2,1-2,4H3/b9-7+/t13-,14+,15-/m1/s1
Smiles CC(C)[C@@H]\1CCC(=C)[C@H](CC[C@](/C=C1)(C)O)O
Nring 1.0
Defined Bond Stereocenter Count 1.0