2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene
PubChem CID: 103031
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| Compound Synonyms | 16863-61-9, 2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene, 2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene, 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro(4.4)non-3-ene, En-yn-dicycloether, EINECS 240-885-2, 2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]non-3-ene, 4-Deoxy-2,3-dihydromycosinol, (2Z)-2-(HEXA-2,4-DIYN-1-YLIDENE)-1,6-DIOXASPIRO[4.4]NON-3-ENE, DTXSID90937513, CHEBI:228966, 1,6-Dioxaspiro(4.4)non-3-ene, 2-(2,4-hexadiynylidene)-, EAA57553, NS00051932, 2-(Hexa-2,4-diyn-1-ylidene)-1,6-dioxa-spiro[4,4]non-3-ene |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Description | (8Z)-8-Hexa-2,4-diynylidene-4,9-dioxaspiro[4.4]non-6-ene is a member of the class of compounds known as ketals. Ketals are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals (8Z)-8-Hexa-2,4-diynylidene-4,9-dioxaspiro[4.4]non-6-ene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 444.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene |
| Nih Violation | False |
| Class | Organooxygen compounds |
| Xlogp | 2.5 |
| Superclass | Organic oxygen compounds |
| Is Pains | False |
| Subclass | Ethers |
| Molecular Formula | C13H12O2 |
| Inchi Key | WTRXKCNFPMTAJV-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| State | liquid |
| Synonyms | (7Z)-4-Deoxy-2,3-dihydromycosinol, (Z)-2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene, (Z)-En-yn-dicycloether, (Z)-Tonghaosu, 1,6-Dioxaspiro[4.4]non-3-ene, 2-(2,4-hexadiynylidene)-, (2Z)-, 1,6-Dioxaspiro[4.4]non-3-ene, 2-(2,4-hexadiynylidene)-, (Z)-, cis-2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene, cis-Enyne-dicycloether, 1,6-Dioxaspiro[4.4]non-3-ene, 2-(2,4-hexadiyn-1-ylidene)-, 2-(Hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]non-3-ene, 3-(Hexa-2,4-diyn-1-ylidene)-4,8-dioxaspiro[4.4]non-1-ene, 4-Deoxy-2,3-dihydromycosinol, En-yn-dicycloether, Mycosinol, 4-Deoxy, 2,3-dihydro, Tonghaosu |
| Compound Name | 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene |
| Kingdom | Organic compounds |
| Exact Mass | 200.084 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 200.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 200.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Inchi | InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3 |
| Smiles | CC#CC#CC=C1C=CC2(O1)CCCO2 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Ketals |
- 1. Outgoing r'ship
FOUND_INto/from Chamaemelum Nobile (Plant) Rel Props:Source_db:fooddb_chem_all