10-Methyl-E-11-tridecen-1-ol propionate
PubChem CID: 5365029
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| Compound Synonyms | 10-Methyl-E-11-tridecen-1-ol propionate, MNSWPRRRHUHTHI-YIXHJXPBSA-N, (11E)-10-Methyl-11-tridecenyl propionate # |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 233.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(E)-10-methyltridec-11-enyl] propanoate |
| Prediction Hob | 1.0 |
| Xlogp | 6.2 |
| Molecular Formula | C17H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MNSWPRRRHUHTHI-YIXHJXPBSA-N |
| Fcsp3 | 0.8235294117647058 |
| Logs | -6.187 |
| Rotatable Bond Count | 13.0 |
| Logd | 4.418 |
| Compound Name | 10-Methyl-E-11-tridecen-1-ol propionate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 268.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.5649342 |
| Inchi | InChI=1S/C17H32O2/c1-4-13-16(3)14-11-9-7-6-8-10-12-15-19-17(18)5-2/h4,13,16H,5-12,14-15H2,1-3H3/b13-4+ |
| Smiles | CCC(=O)OCCCCCCCCCC(C)/C=C/C |
| 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