2,6,10-Trimethyl-2,6,10-dodecatrien-12-al
PubChem CID: 68150
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| Compound Synonyms | 2,6,10-trimethyl-2,6,10-dodecatrien-12-al, SCHEMBL379953, DTXSID80862062, DB-087246, NS00012479, NS00086026, 3,7,11-trimethyldodeca-2,6,10-trien-1-al, Q27109827 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 289.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7,11-trimethyldodeca-2,6,10-trienal |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | YHRUHBBTQZKMEX-UHFFFAOYSA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -3.929 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.749 |
| Compound Name | 2,6,10-Trimethyl-2,6,10-dodecatrien-12-al |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.8249071999999997 |
| Inchi | InChI=1S/C15H24O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11-12H,5-6,8,10H2,1-4H3 |
| Smiles | CC(=CCCC(=CCCC(=CC=O)C)C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Maxima (Plant) Rel Props:Source_db:cmaup_ingredients