(3E,6E,8S,10R)-2,6,10-trimethyldodeca-3,6,11-triene-2,8,10-triol
PubChem CID: 162847766
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| Topological Polar Surface Area | 60.7 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 329.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3E,6E,8S,10R)-2,6,10-trimethyldodeca-3,6,11-triene-2,8,10-triol |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C15H26O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZXFZSYKYILJHBU-HYDLWCNDSA-N |
| Fcsp3 | 0.6 |
| Logs | -3.036 |
| Rotatable Bond Count | 7.0 |
| Logd | 1.735 |
| Compound Name | (3E,6E,8S,10R)-2,6,10-trimethyldodeca-3,6,11-triene-2,8,10-triol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 254.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.188 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 254.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -2.1457939999999995 |
| Inchi | InChI=1S/C15H26O3/c1-6-15(5,18)11-13(16)10-12(2)8-7-9-14(3,4)17/h6-7,9-10,13,16-18H,1,8,11H2,2-5H3/b9-7+,12-10+/t13-,15+/m1/s1 |
| Smiles | C/C(=C\[C@H](C[C@](C)(C=C)O)O)/C/C=C/C(C)(C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Nigra (Plant) Rel Props:Source_db:cmaup_ingredients