3-Ethyl-2,3-dimethylpentane
PubChem CID: 28027
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| Compound Synonyms | 3-Ethyl-2,3-dimethylpentane, 16747-33-4, Pentane, 3-ethyl-2,3-dimethyl-, 3-ETHYL-2,3-DIMETHYL-PENTANE, 2,3-dimethyl-3-ethyl-pentane, DTXSID60168291, 2,3-DIMETHYL-3-ETHYLPENTANE, Q5651936 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 68.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-ethyl-2,3-dimethylpentane |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Is Pains | False |
| Molecular Formula | C9H20 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MMASVVOQIKCFJZ-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 3.0 |
| Compound Name | 3-Ethyl-2,3-dimethylpentane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 128.157 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| 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 | -3.1903057999999995 |
| Inchi | InChI=1S/C9H20/c1-6-9(5,7-2)8(3)4/h8H,6-7H2,1-5H3 |
| Smiles | CCC(C)(CC)C(C)C |
| 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 Picrasma Quassioides (Plant) Rel Props:Source_db:cmaup_ingredients