(2E,6S,8S,11S)-6,11,15-trimethyl-3-propan-2-yl-7,16-dioxatricyclo[11.2.1.06,8]hexadeca-1(15),2,13-triene
PubChem CID: 162867906
Connections displayed (default: 10).
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| Topological Polar Surface Area | 25.7 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 427.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2E,6S,8S,11S)-6,11,15-trimethyl-3-propan-2-yl-7,16-dioxatricyclo[11.2.1.06,8]hexadeca-1(15),2,13-triene |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C20H30O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CAYPXRVDKAIIKY-SSCWMJKZSA-N |
| Fcsp3 | 0.7 |
| Logs | -5.159 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.938 |
| Compound Name | (2E,6S,8S,11S)-6,11,15-trimethyl-3-propan-2-yl-7,16-dioxatricyclo[11.2.1.06,8]hexadeca-1(15),2,13-triene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 302.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 302.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.9611214181818175 |
| Inchi | InChI=1S/C20H30O2/c1-13(2)16-8-9-20(5)19(22-20)7-6-14(3)10-17-11-15(4)18(12-16)21-17/h11-14,19H,6-10H2,1-5H3/b16-12+/t14-,19-,20-/m0/s1 |
| Smiles | C[C@H]1CC[C@H]2[C@@](O2)(CC/C(=C\C3=C(C=C(C1)O3)C)/C(C)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:cmaup_ingredients