Ethyl geranyl ether
PubChem CID: 5365847
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| Compound Synonyms | Ethyl geranyl ether, Geranyl ethyl ether, 40267-72-9, 22882-91-3, (2E)-1-ethoxy-3,7-dimethylocta-2,6-diene, (E)-1-Ethoxy-3,7-dimethylocta-2,6-diene, 2,6-Octadiene, 1-ethoxy-3,7-dimethyl-, (2E)-, Ethyl Geranylether, 1-Ethoxy-3,7-dimethyl-2,6-octadiene, EINECS 254-867-7, Ethylgeranylether, Geranyl ethylether, 2,6-Octadiene, 1-ethoxy-3,7-dimethyl-, (E)-, EINECS 245-288-0, Geranyl ethyl ether 1, trans-3,7-Dimethyl-2,6-octadienyl ethyl ether, SCHEMBL560298, SCHEMBL560299, DTXSID00885218, CHEBI:188363, AKOS006274890, DB-003651, NS00012497, (2E)-1-Ethoxy-3,7-dimethyl-2,6-octadiene #, (6E)-8-ETHOXY-2,6-DIMETHYLOCTA-2,6-DIENE |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | CCOC/C=C/CCC=CC)C)))))C |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 174.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E)-1-ethoxy-3,7-dimethylocta-2,6-diene |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H22O |
| Inchi Key | LOUIMJFJROISMD-FMIVXFBMSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | ethyl geranyl ether |
| Esol Class | Soluble |
| Functional Groups | C/C=C(/C)C, CC=C(C)C, COC |
| Compound Name | Ethyl geranyl ether |
| Exact Mass | 182.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 182.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H22O/c1-5-13-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9+ |
| Smiles | CCOC/C=C(\C)/CCC=C(C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Spondias Mombin (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698933