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 |
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