2,2,6-Trimethyl-1-oxaspiro(2.5)oct-5-ene
PubChem CID: 107303
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| Compound Synonyms | Terpinolene oxide, 2,2,6-trimethyl-1-oxaspiro[2.5]oct-5-ene, 4584-23-0, 4,8-Terpinolene epoxide, 1-Oxaspiro[2.5]oct-5-ene, 2,2,6-trimethyl-, 2,2,6-Trimethyl-1-oxaspiro(2.5)oct-5-ene, EINECS 224-968-0, DTXSID70884091, 1-Oxaspiro(2.5)oct-5-ene, 2,2,6-trimethyl-, Terpinolene monoxide, Terpinolen-4,8-epoxide, S7N6ZFD48V, SCHEMBL10348473, CHEBI:171945, DTXCID701023561, NS00048785, 2,2,6-trimethyl-1-oxa-spiro[2.5]oct-5-ene, 224-968-0 |
|---|---|
| Topological Polar Surface Area | 12.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Description | Isolated from Zanthoxylum piperitum (Japanese pepper tree). Terpinolene oxide is found in cumin and herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 215.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,2,6-trimethyl-1-oxaspiro[2.5]oct-5-ene |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 1.8 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Molecular Formula | C10H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RTLTXXDTPFWZLO-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1-Oxaspiro(2.5)oct-5-ene, 2,2,6-trimethyl-, 2,2,6-Trimethyl-1-oxaspiro(2.5)oct-5-ene, 4,8-Terpinolene epoxide, Arginine n-acetylasparaginate, Terpinolene monoxide, Terpinolene oxide, Arginine N-acetylasparaginate |
| Substituent Name | Menthane monoterpenoid, Oxacycle, Organoheterocyclic compound, Ether, Oxirane, Dialkyl ether, Hydrocarbon derivative, Organooxygen compound, Aliphatic heteropolycyclic compound |
| Compound Name | 2,2,6-Trimethyl-1-oxaspiro(2.5)oct-5-ene |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Esol | -1.9052694 |
| Inchi | InChI=1S/C10H16O/c1-8-4-6-10(7-5-8)9(2,3)11-10/h4H,5-7H2,1-3H3 |
| Smiles | CC1=CCC2(CC1)C(O2)(C)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Menthane monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Cuminum Cyminum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all