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germacrene D-4-ol

PubChem CID: 5352847

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Compound Synonyms Germacrene D-4-ol, Germacren D-4-ol, germacrene-D-4-ol, (2E,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol, CHEBI:141218, Germacra-1(10),5-dien-4-ol, (2E,4S,7E)-4-Isopropyl-1,7-dimethylcyclodeca-2,7-dienol, (2E,7E)-1,7-dimethyl-4-(propan-2-yl)cyclodeca-2,7-dien-1-ol, 2,7-Cyclodecadien-1-ol, 1,7-dimethyl-4-(1-methylethyl)-, (2E,4S,7E)-, RHCTXHCNRLCYBN-XEUZVJIISA-N, Hydroxy-1,7-dimethyl-4-isopropyl-2,7-cyclodecadiene, Q67879906, 198991-79-6
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 16.0
Isotope Atom Count 0.0
Molecular Complexity 275.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (2E,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol
Prediction Hob 1.0
Xlogp 3.8
Molecular Formula C15H26O
Prediction Swissadme 1.0
Inchi Key RHCTXHCNRLCYBN-BMCYRRRCSA-N
Fcsp3 0.7333333333333333
Logs -4.751
Rotatable Bond Count 1.0
Logd 4.091
Compound Name germacrene D-4-ol
Prediction Hob Swissadme 1.0
Exact Mass 222.198
Formal Charge 0.0
Monoisotopic Mass 222.198
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 222.37
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 2.0
Esol -3.5278064000000002
Inchi InChI=1S/C15H26O/c1-12(2)14-8-7-13(3)6-5-10-15(4,16)11-9-14/h6,9,11-12,14,16H,5,7-8,10H2,1-4H3/b11-9+,13-6+
Smiles C/C/1=C\CCC(/C=C/C(CC1)C(C)C)(C)O
Nring 1.0
Defined Bond Stereocenter Count 2.0