Hexadecane, 1,1-dimethoxy-
PubChem CID: 76037
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1,1-Dimethoxyhexadecane, Hexadecane, 1,1-dimethoxy-, 2791-29-9, Hexadecanal dimethyl acetal, Hexadecane,1,1-dimethoxy-, MHW26B8K0A, Palmitaldehyde, dimethyl acetal, 1,1-dimethoxy-hexadecane, UNII-MHW26B8K0A, DTXSID4062644, 1,1-DIMETHOXYHEXADECANE/PALMITATE, 1,1-Dimethoxyhexadecane #, SCHEMBL825730, DTXCID4037748, AKOS015843165, 16:0 dimethylacetal, hexadecanal-dimethylacetal, chloroform |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Methoxy fatty acids |
| Deep Smiles | CCCCCCCCCCCCCCCCOC))OC |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 167.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1-dimethoxyhexadecane |
| Class | Organooxygen compounds |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 7.8 |
| Superclass | Organic oxygen compounds |
| Subclass | Ethers |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H38O2 |
| Inchi Key | LACZJJJYINHZIR-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 16.0 |
| Synonyms | 1,1-dimethoxyhexadecane |
| Esol Class | Moderately soluble |
| Functional Groups | COC(C)OC |
| Compound Name | Hexadecane, 1,1-dimethoxy- |
| Kingdom | Organic compounds |
| Exact Mass | 286.287 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.287 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 286.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C18H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19-2)20-3/h18H,4-17H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCCC(OC)OC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Acetals |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 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