Sulfurous acid, butyl dodecyl ester
PubChem CID: 6420769
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| Compound Synonyms | Sulfurous acid, butyl dodecyl ester, DTXSID0058645, 959095-65-9, DTXCID8032332 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 54.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CCCCCCCCCCCCOS=O)OCCCC |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Organooxygen compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 210.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | butyl dodecyl sulfite |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 7.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H34O3S |
| Inchi Key | YAPWCTMDKNJQRU-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 16.0 |
| Synonyms | sulfurous acid-2- butyl dodecyl ester |
| Esol Class | Moderately soluble |
| Functional Groups | COS(=O)OC |
| Compound Name | Sulfurous acid, butyl dodecyl ester |
| Exact Mass | 306.223 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.223 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 306.5 |
| 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/C16H34O3S/c1-3-5-7-8-9-10-11-12-13-14-16-19-20(17)18-15-6-4-2/h3-16H2,1-2H3 |
| Smiles | CCCCCCCCCCCCOS(=O)OCCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 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