(1R,2E,4R,7E)-1,7-dimethyl-4-[(2S)-6-methylhept-5-en-2-yl]cyclodeca-2,7-dien-1-ol
PubChem CID: 162933797
Connections displayed (default: 10).
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 398.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,2E,4R,7E)-1,7-dimethyl-4-[(2S)-6-methylhept-5-en-2-yl]cyclodeca-2,7-dien-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 5.7 |
| Molecular Formula | C20H34O |
| Prediction Swissadme | 0.0 |
| Inchi Key | QJEFVGHQTVXCQD-ZIZYVJQNSA-N |
| Fcsp3 | 0.7 |
| Logs | -5.997 |
| Rotatable Bond Count | 4.0 |
| Logd | 5.224 |
| Compound Name | (1R,2E,4R,7E)-1,7-dimethyl-4-[(2S)-6-methylhept-5-en-2-yl]cyclodeca-2,7-dien-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 290.261 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.261 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 290.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.9932441999999995 |
| Inchi | InChI=1S/C20H34O/c1-16(2)8-6-10-18(4)19-12-11-17(3)9-7-14-20(5,21)15-13-19/h8-9,13,15,18-19,21H,6-7,10-12,14H2,1-5H3/b15-13+,17-9+/t18-,19-,20+/m0/s1 |
| Smiles | C/C/1=C\CC[C@@](/C=C/[C@H](CC1)[C@@H](C)CCC=C(C)C)(C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Densiflorum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Polygonatum Kingianum (Plant) Rel Props:Source_db:cmaup_ingredients