Biisocrotyl
PubChem CID: 12992
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| Compound Synonyms | 2,5-DIMETHYL-2,4-HEXADIENE, 764-13-6, Biisocrotyl, Biisobutenyl, 2,5-Dimethylhexa-2,4-diene, Diisocrotyl, 2,4-Hexadiene, 2,5-dimethyl-, NSC 10812, EINECS 212-115-5, EE5YRI32X6, AI3-26989, NSC-10812, DTXSID3022116, 1,1,4,4-TETRAMETHYLBUTA-1,3-DIENE, C8H14, UNII-EE5YRI32X6, 1,1,4,4-Tetramethylbuta-1,3-diene, Biisobutenyl, Biisocrotyl, Diisocrotyl, NSC 10812, , NSC10812, 2,4-diene, 2,5Dimethylhexa2,4diene, 2,5dimethyl-2,4-hexadiene, 2,4Hexadiene, 2,5dimethyl, DTXCID102116, 2,5-dimethyl-hexa-2,4-diene, CHEBI:88821, (CH3)2C=CHCH=C(CH3)2, MFCD00008904, 2,5-Dimethyl-2,4-hexadiene, 96%, AKOS009157108, LS-13467, D0735, NS00037782, A838694, 2,5-dimethyl-2,4-hexadiene (stabilized with bht), Q27160797, F0001-1940 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 92.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,5-dimethylhexa-2,4-diene |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C8H14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DZPCYXCBXGQBRN-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -3.805 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.132 |
| Compound Name | Biisocrotyl |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 110.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 110.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 110.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.70004 |
| Inchi | InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3 |
| Smiles | CC(=CC=C(C)C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients