6,9-Pentadecadien-2-one, (Z,Z)-
PubChem CID: 6440609
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| Compound Synonyms | 6,9-Pentadecadien-2-one, (Z,Z)-, 78405-86-4, CHEMBL500066, DTXSID001304287 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 213.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6Z,9Z)-pentadeca-6,9-dien-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | PBWOSGBKOJCBNQ-NQLNTKRDSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -3.407 |
| Rotatable Bond Count | 10.0 |
| Logd | 3.105 |
| Compound Name | 6,9-Pentadecadien-2-one, (Z,Z)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.4378063999999995 |
| Inchi | InChI=1S/C15H26O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h7-8,10-11H,3-6,9,12-14H2,1-2H3/b8-7-,11-10- |
| Smiles | CCCCC/C=C\C/C=C\CCCC(=O)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lindera Benzoin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all