16-Methyloxacyclohexadeca-3,5-dien-2-one
PubChem CID: 5377233
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| Compound Synonyms | 16-Methyloxacyclohexadeca-3,5-dien-2-one, ILDVFHYYKVRVKW-ZNUXKPFCSA-N |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 279.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3Z,5Z)-16-methyl-1-oxacyclohexadeca-3,5-dien-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.9 |
| Molecular Formula | C16H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ILDVFHYYKVRVKW-ZNUXKPFCSA-N |
| Fcsp3 | 0.6875 |
| Logs | -4.888 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.879 |
| Compound Name | 16-Methyloxacyclohexadeca-3,5-dien-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 250.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 250.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -5.0904684 |
| Inchi | InChI=1S/C16H26O2/c1-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16(17)18-15/h8,10,12,14-15H,2-7,9,11,13H2,1H3/b10-8-,14-12- |
| Smiles | CC1CCCCCCCCC/C=C\C=C/C(=O)O1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Inula Helenium (Plant) Rel Props:Source_db:cmaup_ingredients