p-Menthan-3-one, 4,8-epoxy-, cis-
PubChem CID: 6432045
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| Compound Synonyms | p-Menthan-3-one, 4,8-epoxy-, cis-, 1-Oxaspiro[2.5]octan-4-one, 2,2,6-trimethyl-, trans-, cis-Pulegone Oxide, 7599-90-8, DTXSID80424063, OFUGTKAUAMKFPM-XCBNKYQSSA-N, 2,2,6-Trimethyl-1-oxaspiro[2.5]octan-4-one-, trans-, 1-Oxaspiro[2.5]octan-4-one, 2,2,6-trimethyl-, (3R,6S)-rel- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCCC12CC2 |
| Np Classifier Class | Menthane monoterpenoids, Monocyclic monoterpenoids |
| Deep Smiles | C[C@@H]CC[C@@]C=O)C6))OC3C)C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | OC1CCCCC12CO2 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 232.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3R,6R)-2,2,6-trimethyl-1-oxaspiro[2.5]octan-4-one |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 1.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O2 |
| Scaffold Graph Node Bond Level | O=C1CCCCC12CO2 |
| Inchi Key | OFUGTKAUAMKFPM-XCBNKYQSSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | cis-pulegone oxide |
| Esol Class | Very soluble |
| Functional Groups | CC(=O)[C@]1(C)OC1(C)C |
| Compound Name | p-Menthan-3-one, 4,8-epoxy-, cis- |
| 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 | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H16O2/c1-7-4-5-10(8(11)6-7)9(2,3)12-10/h7H,4-6H2,1-3H3/t7-,10+/m1/s1 |
| Smiles | C[C@@H]1CC[C@]2(C(=O)C1)C(O2)(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 Mentha Arvensis (Plant) Rel Props:Reference:ISBN:9788172361792