8,8-Dimethyl-4-methylene-1-oxaspiro[2.5]oct-5-ene
PubChem CID: 585001
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| Compound Synonyms | 8,8-Dimethyl-4-methylene-1-oxaspiro[2.5]oct-5-ene, 54345-60-7, 1-Oxaspiro[2.5]oct-5-ene, 8,8-dimethyl-4-methylene-, DTXSID50342841, AVBXGDSLHWBGTL-UHFFFAOYSA-N, DB-307427, 8,8-Dimethyl-4-methylene-1-oxaspiro[2.5]oct-5-ene # |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 12.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCCC12CC2 |
| Deep Smiles | C=CC=CCCC6CO3)))C)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Epoxides |
| Scaffold Graph Node Level | CC1CCCCC12CO2 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 237.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,4-dimethyl-8-methylidene-1-oxaspiro[2.5]oct-6-ene |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14O |
| Scaffold Graph Node Bond Level | C=C1C=CCCC12CO2 |
| Inchi Key | AVBXGDSLHWBGTL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 8,8-dimethyl-4-methylene-1 oxoaspiro(2,5)-oct-5-ene |
| Esol Class | Soluble |
| Functional Groups | C=C1C=CCCC12CO2 |
| Compound Name | 8,8-Dimethyl-4-methylene-1-oxaspiro[2.5]oct-5-ene |
| Exact Mass | 150.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 150.22 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H14O/c1-8-5-4-6-9(2,3)10(8)7-11-10/h4-5H,1,6-7H2,2-3H3 |
| Smiles | CC1(CC=CC(=C)C12CO2)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Osmanthus Fragrans (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1989.9697802