Octadecane, 6-methyl-
PubChem CID: 93065
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| Compound Synonyms | 6-Methyloctadecane, Octadecane, 6-methyl-, 10544-96-4, DTXSID90880752, 6-methyl octadecane, 6-Methyloctadecane #, DTXCID701022113, NS00095979 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 150.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methyloctadecane |
| Prediction Hob | 1.0 |
| Xlogp | 10.2 |
| Molecular Formula | C19H40 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MMQAZWNADBJFCD-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -7.289 |
| Rotatable Bond Count | 15.0 |
| Logd | 5.31 |
| Compound Name | Octadecane, 6-methyl- |
| 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 | -6.953479799999999 |
| Inchi | InChI=1S/C19H40/c1-4-6-8-9-10-11-12-13-14-16-18-19(3)17-15-7-5-2/h19H,4-18H2,1-3H3 |
| Smiles | CCCCCCCCCCCCC(C)CCCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 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