[1-(2-propen-1-yloxy)-3-buten-1-yl]Benzene
PubChem CID: 535320
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| Compound Synonyms | 98088-48-3, [1-(2-propen-1-yloxy)-3-buten-1-yl]Benzene, 1-prop-2-enoxybut-3-enylbenzene, (1-ALLYLOXY-BUT-3-ENYL)-BENZENE, [1-(Allyloxy)-3-butenyl]benzene, SCHEMBL7760225, DTXSID20336671, VQJJJPBNIXFEFB-UHFFFAOYSA-N, [1-(Allyloxy)-3-butenyl]benzene #, AKOS006289346, Benzene, [1-(2-propenyloxy)-3-butenyl]-, DB-024601, {1-[(Prop-2-en-1-yl)oxy]but-3-en-1-yl}benzene |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 168.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-prop-2-enoxybut-3-enylbenzene |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C13H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | VQJJJPBNIXFEFB-UHFFFAOYSA-N |
| Fcsp3 | 0.2307692307692307 |
| Logs | -3.336 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.118 |
| Compound Name | [1-(2-propen-1-yloxy)-3-buten-1-yl]Benzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 188.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 188.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 188.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.045216857142857 |
| Inchi | InChI=1S/C13H16O/c1-3-8-13(14-11-4-2)12-9-6-5-7-10-12/h3-7,9-10,13H,1-2,8,11H2 |
| Smiles | C=CCC(C1=CC=CC=C1)OCC=C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Leibnitzia Anandria (Plant) Rel Props:Source_db:cmaup_ingredients