Z-Nerolidyl acetate
PubChem CID: 5357157
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| Compound Synonyms | Z-Nerolidyl acetate, cis-Nerolidylacetate, SCHEMBL3506100, PRNJXUQTUSFYLV-QINSGFPZSA-N, Q67880155, [(4Z)-1,5,9-trimethyl-1-vinyl-deca-4,8-dienyl] acetate |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 359.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 5.2 |
| Molecular Formula | C17H28O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PRNJXUQTUSFYLV-QINSGFPZSA-N |
| Fcsp3 | 0.5882352941176471 |
| Logs | -4.402 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.992 |
| Compound Name | Z-Nerolidyl acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 264.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 264.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.5330357999999995 |
| Inchi | InChI=1S/C17H28O2/c1-7-17(6,19-16(5)18)13-9-12-15(4)11-8-10-14(2)3/h7,10,12H,1,8-9,11,13H2,2-6H3/b15-12- |
| Smiles | CC(=CCC/C(=C\CCC(C)(C=C)OC(=O)C)/C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Maxima (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients