3-Ethyl-3-methylhexane
PubChem CID: 18313
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| Compound Synonyms | 3-ETHYL-3-METHYLHEXANE, Hexane, 3-ethyl-3-methyl-, 3074-76-8, 3-Methyl-3-ethylhexane, 3-ethyl-3-methyl-hexane, DTXSID30184766, Q5651950 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 60.4 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-ethyl-3-methylhexane |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C9H20 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CYWROHZCELEGSE-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.572 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.589 |
| Compound Name | 3-Ethyl-3-methylhexane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 128.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 128.157 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 128.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3070057999999998 |
| Inchi | InChI=1S/C9H20/c1-5-8-9(4,6-2)7-3/h5-8H2,1-4H3 |
| Smiles | CCCC(C)(CC)CC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cistanche Deserticola (Plant) Rel Props:Source_db:cmaup_ingredients