Benzene, 1,2-bis(1-buten-3-yl)-
PubChem CID: 582313
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| Compound Synonyms | Benzene, 1,2-bis(1-buten-3-yl)-, VQDSDYULHIDXKS-UHFFFAOYSA-N, 1,2-Bis(1-methyl-2-propenyl)benzene # |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 170.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2-bis(but-3-en-2-yl)benzene |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C14H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VQDSDYULHIDXKS-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -4.93 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.176 |
| Compound Name | Benzene, 1,2-bis(1-buten-3-yl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 186.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 186.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 186.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.021790457142856 |
| Inchi | InChI=1S/C14H18/c1-5-11(3)13-9-7-8-10-14(13)12(4)6-2/h5-12H,1-2H2,3-4H3 |
| Smiles | CC(C=C)C1=CC=CC=C1C(C)C=C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients