7-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one
PubChem CID: 1781406
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| Topological Polar Surface Area | 35.5 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 605.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 7.1 |
| Molecular Formula | C24H30O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GNMUGVNEWCZUAA-JGFVCGRDSA-N |
| Fcsp3 | 0.375 |
| Logs | -5.429 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.611 |
| Compound Name | 7-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 366.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 366.219 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 366.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -5.194380274074074 |
| Inchi | InChI=1S/C24H30O3/c1-18(2)7-5-8-19(3)9-6-10-20(4)15-16-26-22-13-11-21-12-14-24(25)27-23(21)17-22/h7,9,11-15,17H,5-6,8,10,16H2,1-4H3/b19-9-,20-15- |
| Smiles | CC(=CCC/C(=C\CC/C(=C\COC1=CC2=C(C=C1)C=CC(=O)O2)/C)/C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anethum Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients