2-Methylnonacosane
PubChem CID: 182192
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| Compound Synonyms | 2-Methylnonacosane, Isotriacontane, 34425-19-9, Nonacosane, 2-methyl-, DTXSID9075080, LMFA11000347 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 280.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylnonacosane |
| Prediction Hob | 0.0 |
| Xlogp | 16.2 |
| Molecular Formula | C30H62 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NLAGNNORBYGNAV-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -8.089 |
| Rotatable Bond Count | 26.0 |
| Logd | 5.567 |
| Compound Name | 2-Methylnonacosane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 422.485 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 422.485 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 422.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -10.938921200000003 |
| Inchi | InChI=1S/C30H62/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(2)3/h30H,4-29H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Odorifera (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Evolvulus Alsinoides (Plant) Rel Props:Source_db:cmaup_ingredients