PUBCHEM ID | 520181 |
Molecular Weight (mg/mol) | 324.627 |
Molecular Formula | C23H48 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 0 |
Rotatable Bond Count | 19 |
IUPAC Name | 4-methyldocosane |
Canonical SMILES | CCCCCCCCCCCCCCCCCCC(C)CCC |
PUBCHEM IUPAC INCHIKEY | ATAWCABZIRDUSP-UHFFFAOYSA-N |
Solubility Level | 0 |
Vapour Pressure | -5.544 |
XLOGP3 AA | 12.4 |
CACTVS TPSA | 0 |
BBB Level | 4 |
Absorption Level | 3 |
EXT PPB#Prediction | 1 |
AlogP98 | 10.659 |
EXT CYP2D6#Prediction | 0 |
Mouse Female FDA | Non-Carcinogen |
Mouse Male FDA | Multi-Carcinogen |
Rat Female FDA | Non-Carcinogen |
Rat Male FDA | Non-Carcinogen |
Ames Prediction | Non-Mutagen |
Developmental / Reproductive Toxicity | Toxic |
Rat Oral LD50 | 14.9267 g/kg_body_weight |
Ocular Irritancy | None |
Hepatotoxic#Prediction | 0 |
Effected Human Genes |
Aerobic Biodegradability Prediction | Degradable |
Physical hazards | not classified |
Health hazards | Severe |
Environmental hazards | not classified |
Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
---|---|---|---|---|---|---|
1 | 25117-30-0 |
Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
---|---|---|---|---|---|
1 | 25117-30-0 | 4-Methyldocosane |