Oxirane, 5-hexenyl-
PubChem CID: 29678
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| Compound Synonyms | 1,2-Epoxy-7-octene, 19600-63-6, 5-Hexenyloxirane, Oxirane, 5-hexenyl-, 7,8-Epoxyoctene, 2-hex-5-enyloxirane, CCRIS 3749, EINECS 243-178-7, BRN 1305290, 2-(hex-5-en-1-yl)oxirane, 5-17-01-00231 (Beilstein Handbook Reference), MFCD00005156, 2-hex-5-en-yloxirane, 2-(hex-5-enyl)oxirane, 1,7-octadiene monoepoxide, 2-(5-Hexenyl)oxirane #, 1-Octene, 7,8-epoxy-, SCHEMBL132825, 7,8-EPOXY-1-OCTENE, Oxirane,2-(5-hexen-1-yl)-, DTXSID30941376, AKOS025294826, FE34765, DB-008017, NS00047546, EN300-7613273, Z1255356056, 243-178-7 |
|---|---|
| Topological Polar Surface Area | 12.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 88.6 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hex-5-enyloxirane |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C8H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | UKTHULMXFLCNAV-UHFFFAOYSA-N |
| Fcsp3 | 0.75 |
| Logs | -2.002 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.255 |
| Compound Name | Oxirane, 5-hexenyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 126.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 126.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 126.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8674337999999997 |
| Inchi | InChI=1S/C8H14O/c1-2-3-4-5-6-8-7-9-8/h2,8H,1,3-7H2 |
| Smiles | C=CCCCCC1CO1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients