5-Methyl-2-hexene
PubChem CID: 5357252
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| Compound Synonyms | 5-METHYL-2-HEXENE, 3404-62-4, 2-Hexene, 5-methyl-, (E)-5-methylhex-2-ene, (E)-5-Methyl-2-hexene, 7385-82-2, 2-Hexene, 5-methyl-, (E)-, 5-Methyl-2-hexene,c&t, 5-Methyl-trans-2-hexene, NC65DR4GEC, YW7740XCM7, 5-Methyl-2-hexene, (2E)-, NSC-73936, 5-Methyl-2-hexene (c,t), trans-5-Methyl-2-hexene, NSC73936, MFCD00059239, UNII-NC65DR4GEC, UNII-YW7740XCM7, (2E)-5-Methyl-2-hexene, 3-Methyl-3-hexene (cis,trans), GHBKCPRDHLITSE-UHFFFAOYSA-N, DTXSID001025647, 2-Hexene, 5-methyl-, (2E)-, NSC 73936, AKOS025295183, M0305, D91309 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 51.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-5-methylhex-2-ene |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C7H14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GHBKCPRDHLITSE-SNAWJCMRSA-N |
| Fcsp3 | 0.7142857142857143 |
| Logs | -1.489 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.307 |
| Compound Name | 5-Methyl-2-hexene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 98.1096 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 98.1096 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 98.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.1374717999999997 |
| Inchi | InChI=1S/C7H14/c1-4-5-6-7(2)3/h4-5,7H,6H2,1-3H3/b5-4+ |
| Smiles | C/C=C/CC(C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients