7-Methylpentadecane
PubChem CID: 22545
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| Compound Synonyms | 7-METHYLPENTADECANE, Pentadecane, 7-methyl-, 6165-40-8, 7-methyl-pentadecane, 7-Methylpentadecane #, 7-METHYL PENTADECANE, DTXSID60873318, LMFA11000514, NS00095982 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 117.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methylpentadecane |
| Prediction Hob | 1.0 |
| Xlogp | 8.6 |
| Molecular Formula | C16H34 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MOKGOCMIDWMCHO-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -7.048 |
| Rotatable Bond Count | 12.0 |
| Logd | 5.23 |
| Compound Name | 7-Methylpentadecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 226.266 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.266 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 226.44 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.863677599999999 |
| Inchi | InChI=1S/C16H34/c1-4-6-8-10-11-13-15-16(3)14-12-9-7-5-2/h16H,4-15H2,1-3H3 |
| Smiles | CCCCCCCCC(C)CCCCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Astilbe Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Michelia Alba (Plant) Rel Props:Source_db:cmaup_ingredients