Sulfurous acid, butyl octadecyl ester
PubChem CID: 6420808
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| Compound Synonyms | Sulfurous acid, butyl octadecyl ester, HHRDRZWGPXNDKO-UHFFFAOYSA-N, sulfurous acid butyl octadecyl ester |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 54.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CCCCCCCCCCCCCCCCCCOS=O)OCCCC |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Organooxygen compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 285.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | butyl octadecyl sulfite |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 10.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C22H46O3S |
| Inchi Key | HHRDRZWGPXNDKO-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 22.0 |
| Synonyms | butyl octadecyl ester sulfurous acid |
| Esol Class | Poorly soluble |
| Functional Groups | COS(=O)OC |
| Compound Name | Sulfurous acid, butyl octadecyl ester |
| Exact Mass | 390.317 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 390.317 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 390.7 |
| Gi Absorption | False |
| 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/C22H46O3S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-26(23)24-21-6-4-2/h3-22H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCOS(=O)OCCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
- 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