3,7-Dimethylnonane
PubChem CID: 28458
Connections displayed (default: 10).
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| Compound Synonyms | 3,7-DIMETHYLNONANE, Nonane, 3,7-dimethyl-, 17302-32-8, Nonane,3,7-dimethyl-, DTXSID80873315, DTXCID10820812, LMFA11000616 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 66.1 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7-dimethylnonane |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C11H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YGPVLXJHRFZYJJ-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -5.449 |
| Rotatable Bond Count | 6.0 |
| Logd | 5.209 |
| Compound Name | 3,7-Dimethylnonane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 156.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 156.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9411405999999998 |
| Inchi | InChI=1S/C11H24/c1-5-10(3)8-7-9-11(4)6-2/h10-11H,5-9H2,1-4H3 |
| Smiles | CCC(C)CCCC(C)CC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ainsliaea Macrocephala (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Artemisia Macrocephala (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Atractylodes Chinensis (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Atractylodes Japonica (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Jurinea Macrocephala (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Lancea Tibetica (Plant) Rel Props:Reference: