3-Hexene, 1-(1-ethoxyethoxy)-, (E)-
PubChem CID: 5463962
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| Compound Synonyms | (E)-1-(1-Ethoxyethoxy)hex-3-ene, 60763-40-8, Leaf alcohol acetal, (E)-1-(1-Ethoxyethoxy)-3-hexene, 3-Hexene, 1-(1-ethoxyethoxy)-, (E)-, (Z)-1-(1-Ethoxyethoxy)-3-hexene, 3,5-Dioxa-4-methyl-8-trans-undecene, Acetaldehyde ethyl trans-3-hexenyl acetal, 3-Hexene, 1-(1-ethoxyethoxy)-, (3E)-, EINECS 262-412-9, Ethyl cis-3-hexenyl acetal, NIOSH/MP6792500, (3E)-1-(1-Ethoxyethoxy)-3-hexene, MP67925000, 1-ethoxy-1-[(3E)-hex-3-en-1-yloxy]ethane, AB3F8JT8LG, Ethyl (Z)-3-hexenyl acetal, SCHEMBL872893, 1-(1-Ethoxyethoxy)-3-hexene, Ethyl-(cis-3-hexene)yl acetal, SCHEMBL1532435, DTXSID20886409, CHEBI:179537, PAEBAEDUARAOSG-VOTSOKGWSA-N, 3-Hexene, 1-(1-ethoxyethoxy)-, 1-(1-Ethoxyethoxy)-(E)-3-Hexene, 1-(1-Ethoxyethoxy)-(Z)-3-Hexene, (3Z)-1-(1-Ethoxyethoxy)-3-hexene, Acetaldehyde ethyl cis-3-hexenylacetal, AKOS015903468, 1-(1-Ethoxyethoxy)-(3E)-3-Hexene, 1-(1-Ethoxyethoxy)-(3Z)-3-Hexene, 3,5-Dioxa-4-methyl-8-undecene (Z), 1-(1-ethoxyethoxy)hex-3-ene, (E)-, Ethyl 3-hexenyl acetal(Z)-Acetaldehyde, 1-Ethoxy-1-(3-hexenyloxy)-(Z)-Ethane, DB-310139, NS00011923, D88354 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CC/C=C/CCOCOCC)))C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Organooxygen compounds |
| Description | Constituent of the volatile components of strawberries and victoria plums. Flavouring ingredient. (Z)-1-(1-Ethoxyethoxy)-3-hexene is found in fruits. |
| Classyfire Subclass | Ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 110.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-(1-ethoxyethoxy)hex-3-ene |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.6 |
| Superclass | Organic oxygen compounds |
| Subclass | Ethers |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H20O2 |
| Inchi Key | PAEBAEDUARAOSG-VOTSOKGWSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | (3Z)-1-(1-Ethoxyethoxy)-3-hexene, (E)-1-(1-Ethoxyethoxy)-3-hexene, (E)-1-(1-Ethoxyethoxy)hex-3-ene, (Z)-1-(1-Ethoxyethoxy)hex-3-ene, (Z)-1-Ethoxy-1-(3-hexenyloxy)ethane, 1-(1-Ethoxyethoxy)-(3e)-3-hexene, 1-(1-Ethoxyethoxy)-(3Z)-3-hexene, 1-(1-Ethoxyethoxy)-(e)-3-hexene, 1-(1-Ethoxyethoxy)-(Z)-3-hexene, 1-(1-Ethoxyethoxy)-3-hexene, (Z)-, 1-Ethoxy-1-(3-hexenyloxy)-(Z)-ethane, 1-Ethoxy-1-(3-hexenyloxy)ethane, (Z)-, 3-Hexene, 1-(1-ethoxyethoxy)-, (3E)-, 3-Hexene, 1-(1-ethoxyethoxy)-, (3Z)-, 3-Hexene, 1-(1-ethoxyethoxy)-, (E)-, 3-Hexene, 1-(1-ethoxyethoxy)-, (Z)-, 3,5-Dioxa-4-methyl-8-cis-undecene, 3,5-Dioxa-4-methyl-8-trans-undecene, 3,5-Dioxa-4-methyl-8-undecene (Z), Acetaldehyde ethyl cis-3-hexenyl acetal, Acetaldehyde ethyl cis-3-hexenylacetal, Acetaldehyde ethyl trans-3-hexenyl acetal, Acetaldehyde, ethyl 3-hexenyl acetal, (Z)-, Acetaldehyde, ethyl cis-3-hexenyl acetal, cis-3-Hexenyl ethyl acetal, Ethane, 1-ethoxy-1-(3-hexenyloxy)-, (Z)-, Ethyl (Z)-3-hexenyl acetal, Ethyl 3-hexenyl acetal(Z)-acetaldehyde, Ethyl cis-3-hexenyl acetal, Ethyl Cis-3-hexenyl Acetal Acetaldehyde, Ethyl-(cis-3-hexene)yl acetal, Leaf acetal, Leaf alcohol (ethyl) acetal, Leaf alcohol acetal, (e)-1-(1-Ethoxyethoxy)-3-hexene, (e)-1-(1-Ethoxyethoxy)hex-3-ene, 1-(1-Ethoxyethoxy)-(3E)-3-hexene, Ethyl cis-3-hexenyl acetal acetaldehyde, 1-(1-ethoxyethoxy)-3(e)-hexene |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C, COC(C)OC |
| Compound Name | 3-Hexene, 1-(1-ethoxyethoxy)-, (E)- |
| Kingdom | Organic compounds |
| Exact Mass | 172.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 172.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 172.26 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H20O2/c1-4-6-7-8-9-12-10(3)11-5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+ |
| Smiles | CC/C=C/CCOC(C)OCC |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Acetals |
- 1. Outgoing r'ship
FOUND_INto/from Taxus Wallichiana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644112