2,3,5,8-Tetramethyldecane
PubChem CID: 545611
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| Compound Synonyms | 2,3,5,8-Tetramethyldecane, Decane, 2,3,5,8-tetramethyl-, 192823-15-7, 2,3,5,8-Tetramethyldecane #, CHEBI:84227, DTXSID70337936, XTIADNINQBIUNR-UHFFFAOYSA-N, NS00010715, Q27157597 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 126.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,5,8-tetramethyldecane |
| Prediction Hob | 1.0 |
| Xlogp | 6.6 |
| Molecular Formula | C14H30 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XTIADNINQBIUNR-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -6.311 |
| Rotatable Bond Count | 7.0 |
| Logd | 5.753 |
| Compound Name | 2,3,5,8-Tetramethyldecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 198.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.235 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 198.39 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.7912428 |
| Inchi | InChI=1S/C14H30/c1-7-12(4)8-9-13(5)10-14(6)11(2)3/h11-14H,7-10H2,1-6H3 |
| Smiles | CCC(C)CCC(C)CC(C)C(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lycium Barbarum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Michelia Alba (Plant) Rel Props:Source_db:cmaup_ingredients