Vinyl isobutyl ether
PubChem CID: 7992
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| Compound Synonyms | ISOBUTYL VINYL ETHER, 109-53-5, Vinyl isobutyl ether, Propane, 1-(ethenyloxy)-2-methyl-, Isobutoxyethene, Ether, isobutyl vinyl, Isobutanol vinyl ether, Lutanol LR 8500, 1-(ethenyloxy)-2-methylpropane, 2-Methyl-1-vinyloxypropane, 1-ethenoxy-2-methylpropane, Vinoflex MO 400*, NSC 8265, Vinoflex MO 400, iso-butyl vinyl ether, EINECS 203-678-8, 8HQ2X2D0TM, UN1304, BRN 1560159, Vinyl isobutyl ether, inhibited, DTXSID8029608, AI3-18425, NSC-8265, 2-methyl-1-(vinyloxy)propane, DTXCID309608, IVE, EC 203-678-8, 4-01-00-02054 (Beilstein Handbook Reference), isobutylvinylether, UNII-8HQ2X2D0TM, isobutoxyethylene, 1-(Vinyloxy)-2-methyl-propane, IBVE, Ether isobutylvinylique, 1-Isobutoxyethylene #, 2Methyl1vinyloxypropane, LUTONAL LR 8500, 1-ethenoxy-2-methyl-propane, SCHEMBL16776, UN 1304 (Salt/Mix), Propane, 1(ethenyloxy)2methyl, WLN: 1Y1O1U1, CHEMBL3183612, Eter vinil isobutilico, inhibido, Isobutyl vinyl ether, stabilized, SCHEMBL13341611, NSC8265, Ether isobutylvinylique, stabilise, Tox21_202579, Eter vinil isobutilico (dot spanish), Ether isobutylvinylique (French DOT), AKOS009157578, FI02381, VINYL ISOBUTYL ETHER, STABILIZED, NCGC00260128-01, CAS-109-53-5, Isobutyl Vinyl Ether (stabilized with KOH), Vinyl isobutyl ether, inhibited (Salt/Mix), I0099, NS00007963, EN300-59865, Eter vinil isobutilico, inhibido (Spanish DOT), Ether isobutylvinylique, stabilise (French DOT), A802048, Isobutyl vinyl ether 100 microg/mL in Acetonitrile, Q1418767, Z916978390, Vinyl isobutyl ether, inhibited [UN1304] [Flammable liquid], Isobutyl vinyl ether, contains 0.1% potassium hydroxide as stabilizer, 99%, 203-678-8 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | C=COCCC)C |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Organooxygen compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 48.1 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-ethenoxy-2-methylpropane |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H12O |
| Inchi Key | OZCMOJQQLBXBKI-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | propane,1-(ethenyloxy)-2-methyl |
| Esol Class | Very soluble |
| Functional Groups | C=COC |
| Compound Name | Vinyl isobutyl ether |
| Exact Mass | 100.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 100.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 100.16 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H12O/c1-4-7-5-6(2)3/h4,6H,1,5H2,2-3H3 |
| Smiles | CC(C)COC=C |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Absinthium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2015.1010605