2H-Pyran-3(4H)-one, 6-ethenyldihydro-2,2,6-trimethyl-
PubChem CID: 549336
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| Compound Synonyms | 33933-72-1, 2H-Pyran-3(4H)-one, 6-ethenyldihydro-2,2,6-trimethyl-, DTXSID50338486, 6-Ethenyldihydro-2,2,6-trimethyl-2H-pyran-3(4H)-one, 2H-Pyran-3(4H)-one, dihydro-2,2,6-trimethyl-6-vinyl-, SCHEMBL20873447, DTXCID60289571, ATQPZCOAQSYTPR-UHFFFAOYSA-N, 2,2,6-Trimethyl-3-keto-6-vinyltetrahydropyran, 2,2,6-trimethyl-6-ethenyl-4,5-dihydro-3-pyranone, 2,2,6-Trimethyl-6-vinyldihydro-2H-pyran-3(4H)-one # |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCCC1 |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | C=CCC)CCC=O)CO6)C)C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Oxanes |
| Scaffold Graph Node Level | OC1CCCOC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 218.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-ethenyl-2,2,6-trimethyloxan-3-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O2 |
| Scaffold Graph Node Bond Level | O=C1CCCOC1 |
| Inchi Key | ATQPZCOAQSYTPR-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 6-ethenyldihydro-2,2,6-trimethyl-2h-pyran-3(4h)-one |
| Esol Class | Very soluble |
| Functional Groups | C=CC, CC(C)=O, COC |
| Compound Name | 2H-Pyran-3(4H)-one, 6-ethenyldihydro-2,2,6-trimethyl- |
| Exact Mass | 168.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 168.23 |
| 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/C10H16O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5H,1,6-7H2,2-4H3 |
| Smiles | CC1(C(=O)CCC(O1)(C)C=C)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 Licuala Spinosa (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1797