2-Hexene, 3,4,4-trimethyl-
PubChem CID: 5369064
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| Compound Synonyms | 3,4,4-Trimethyl-2-hexene, 2-Hexene, 3,4,4-trimethyl-, 3,4,4-trimethylhexene-2, WDLGLTFOBAKTPU-SOFGYWHQSA-N, (2E)-3,4,4-Trimethyl-2-hexene # |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 107.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3,4,4-trimethylhex-2-ene |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C9H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WDLGLTFOBAKTPU-SOFGYWHQSA-N |
| Fcsp3 | 0.7777777777777778 |
| Logs | -4.128 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.309 |
| Compound Name | 2-Hexene, 3,4,4-trimethyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 126.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 126.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 126.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.098906599999999 |
| Inchi | InChI=1S/C9H18/c1-6-8(3)9(4,5)7-2/h6H,7H2,1-5H3/b8-6+ |
| Smiles | CCC(C)(C)/C(=C/C)/C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crataegus Pinnatifida (Plant) Rel Props:Source_db:cmaup_ingredients