2,3-Dimethyldecane
PubChem CID: 86544
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| Compound Synonyms | 2,3-Dimethyldecane, 17312-44-6, Decane,2,3-dimethyl-, Decane, 2,3-dimethyl-, 2,3-dimethyl-decane, Decane, 2,3-dimethyl, DTXSID20864767, AKOS040751496, DB-008776, NS00127138 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 84.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dimethyldecane |
| Prediction Hob | 1.0 |
| Xlogp | 6.1 |
| Molecular Formula | C12H26 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZCTGYLNFWOQVHV-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -6.107 |
| Rotatable Bond Count | 7.0 |
| Logd | 5.049 |
| Compound Name | 2,3-Dimethyldecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 170.203 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.203 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 170.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.302308 |
| Inchi | InChI=1S/C12H26/c1-5-6-7-8-9-10-12(4)11(2)3/h11-12H,5-10H2,1-4H3 |
| Smiles | CCCCCCCC(C)C(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Source_db:cmaup_ingredients