3,6-Dimethylundecane
PubChem CID: 86539
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| Compound Synonyms | 3,6-Dimethylundecane, Undecane, 3,6-dimethyl-, 17301-28-9, Undecane,3,6-dimethyl-, DTXSID7058624, Undecane, 3,6dimethyl, 3,6-Dimethylundecane #, DTXCID5032311, NS00096226 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 96.2 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,6-dimethylundecane |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 6.7 |
| Is Pains | False |
| Molecular Formula | C13H28 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WLUQEGDKTQZXBV-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 8.0 |
| Compound Name | 3,6-Dimethylundecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 184.219 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 184.219 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 184.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.663475399999999 |
| Inchi | InChI=1S/C13H28/c1-5-7-8-9-13(4)11-10-12(3)6-2/h12-13H,5-11H2,1-4H3 |
| Smiles | CCCCCC(C)CCC(C)CC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cistanche Deserticola (Plant) Rel Props:Source_db:cmaup_ingredients