2,6-Dimethylheptadecane
PubChem CID: 545603
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| Compound Synonyms | 2,6-Dimethylheptadecane, Heptadecane, 2,6-dimethyl-, 54105-67-8, CHEBI:132288, DTXSID00866401, 2,6-dimethyl heptadecane, 2,6-Dimethylheptadecane #, DTXCID40814688, DB-326439, NS00095920 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 159.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-dimethylheptadecane |
| Prediction Hob | 1.0 |
| Xlogp | 9.9 |
| Molecular Formula | C19H40 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RHDKKTYWDZUSCS-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -7.268 |
| Rotatable Bond Count | 14.0 |
| Logd | 5.735 |
| Compound Name | 2,6-Dimethylheptadecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.313 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.313 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 268.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.836779799999999 |
| Inchi | InChI=1S/C19H40/c1-5-6-7-8-9-10-11-12-13-16-19(4)17-14-15-18(2)3/h18-19H,5-17H2,1-4H3 |
| Smiles | CCCCCCCCCCCC(C)CCCC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Michelia Alba (Plant) Rel Props:Source_db:cmaup_ingredients