5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-
PubChem CID: 61206
Connections displayed (default: 10).
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| Compound Synonyms | Farnesylacetone, 762-29-8, 6,10,14-Trimethylpentadeca-5,9,13-trien-2-one, 5,9,13-PENTADECATRIEN-2-ONE, 6,10,14-TRIMETHYL-, DTXSID5061087, 6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one, SCHEMBL157419, DTXCID2047856, AKOS025244014, SY249655, NS00080196 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 352.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,10,14-trimethylpentadeca-5,9,13-trien-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C18H30O |
| Prediction Swissadme | 0.0 |
| Inchi Key | LTUMRKDLVGQMJU-UHFFFAOYSA-N |
| Fcsp3 | 0.6111111111111112 |
| Logs | -5.379 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.562 |
| Compound Name | 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 262.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.23 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 262.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.3759093999999985 |
| Inchi | InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3 |
| Smiles | CC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Agrimonia Pilosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Scutellaria Barbata (Plant) Rel Props:Source_db:cmaup_ingredients