Oxalic acid, cyclobutyl octadecyl ester
PubChem CID: 6420627
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Oxalic acid, cyclobutyl octadecyl ester, DTXSID401016765, 959077-61-3, DTXCID301474956 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC1 |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CCCCCCCCCCCCCCCCCCOC=O)C=O)OCCCC4 |
| Heavy Atom Count | 28.0 |
| Classyfire Class | Fatty acyls |
| Scaffold Graph Node Level | C1CCC1 |
| Classyfire Subclass | Fatty alcohol esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 390.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-O-cyclobutyl 1-O-octadecyl oxalate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 10.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C24H44O4 |
| Scaffold Graph Node Bond Level | C1CCC1 |
| Inchi Key | XBDFFXWKUQOUQH-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 21.0 |
| Synonyms | cyclobutyl octadecyl ester oxalic acid |
| Esol Class | Poorly soluble |
| Functional Groups | COC(=O)C(=O)OC |
| Compound Name | Oxalic acid, cyclobutyl octadecyl ester |
| Exact Mass | 396.324 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 396.324 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 396.6 |
| Gi Absorption | False |
| 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/C24H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-23(25)24(26)28-22-19-18-20-22/h22H,2-21H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCOC(=O)C(=O)OC1CCC1 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Rhizophora Apiculata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748 - 2. Outgoing r'ship
FOUND_INto/from Rhizophora Mucronata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748