Heptane, 5-ethyl-2-methyl-
PubChem CID: 26056
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| Compound Synonyms | 5-ETHYL-2-METHYLHEPTANE, Heptane, 5-ethyl-2-methyl-, 13475-78-0, 2-Methyl-5-ethylheptane, 6-Methyl-3-ethylheptane, 5-ethyl-2-methyl-heptane, DTXSID40158933, 2Methyl5ethylheptane, 5Ethyl2methylheptane, 6Methyl3ethylheptane, Heptane, 3-ethyl-6-methyl, DTXCID0081424, DGEMPTLPTFNEHJ-UHFFFAOYSA-N, LMFA11000609, NS00120980, Q5652532 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 60.4 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-ethyl-2-methylheptane |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C10H22 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DGEMPTLPTFNEHJ-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -5.241 |
| Rotatable Bond Count | 5.0 |
| Logd | 5.181 |
| Compound Name | Heptane, 5-ethyl-2-methyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 142.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 142.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5736731999999996 |
| Inchi | InChI=1S/C10H22/c1-5-10(6-2)8-7-9(3)4/h9-10H,5-8H2,1-4H3 |
| Smiles | CCC(CC)CCC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crataegus Pinnatifida (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cydonia Oblonga (Plant) Rel Props:Source_db:cmaup_ingredients