Z-10-Methyl-11-tetradecen-1-ol propionate
PubChem CID: 5365070
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| Compound Synonyms | Z-10-Methyl-11-tetradecen-1-ol propionate, FJSAPNCMWOBDPZ-NSIKDUERSA-N, (11Z)-10-Methyl-11-tetradecenyl propionate # |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 246.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(Z)-10-methyltetradec-11-enyl] propanoate |
| Prediction Hob | 1.0 |
| Xlogp | 6.6 |
| Molecular Formula | C18H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FJSAPNCMWOBDPZ-NSIKDUERSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -5.378 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.632 |
| Compound Name | Z-10-Methyl-11-tetradecen-1-ol propionate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 282.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.8568016 |
| Inchi | InChI=1S/C18H34O2/c1-4-6-14-17(3)15-12-10-8-7-9-11-13-16-20-18(19)5-2/h6,14,17H,4-5,7-13,15-16H2,1-3H3/b14-6- |
| Smiles | CC/C=C\C(C)CCCCCCCCCOC(=O)CC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients