Nonalactone
PubChem CID: 138644
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| Compound Synonyms | Nonalactone, oxecan-2-one, 6008-27-1, 2-Oxecanone, nonanolactone, nonanolide, Oxa-2-cyclodecanone, SCHEMBL1532496, DTXSID10208818, CHEBI:190536, FTXUQEKXCJSWMO-UHFFFAOYSA-N |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCCCCCCC1 |
| Np Classifier Class | Lactones |
| Deep Smiles | O=CCCCCCCCCO%10 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Lactones |
| Scaffold Graph Node Level | OC1CCCCCCCCO1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 121.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | oxecan-2-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H16O2 |
| Scaffold Graph Node Bond Level | O=C1CCCCCCCCO1 |
| Inchi Key | FTXUQEKXCJSWMO-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | nonalactone |
| Esol Class | Very soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Nonalactone |
| Exact Mass | 156.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 156.22 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H16O2/c10-9-7-5-3-1-2-4-6-8-11-9/h1-8H2 |
| Smiles | C1CCCCOC(=O)CCC1 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
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