1,7-Dicyclopentyl-4-N-Octylheptane Details
:
IUPAC Name
4-(3-cyclopentylpropyl)dodecylcyclopentane
:Chemical Class
:CAS Registry Number
7225-68-5
:Description
:Fragrance Type
Physical and Chemical properties
| PUBCHEM ID | 294711 |
| CAS Registry Number | 0.0 |
| Aroma Threshold | 0.0 |
| Molecular Weight (g/mol) | 348.649 |
| Molecular Formula | C25H48 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 15 |
| IUPAC Name | 4-(3-cyclopentylpropyl)dodecylcyclopentane |
| Canonical SMILES | CCCCCCCCC(CCCC1CCCC1)CCCC2CCCC2 |
| PUBCHEM IUPAC INCHIKEY | ZMXUNXRABSSJDU-UHFFFAOYSA-N |
| Solubility Level | 0 |
| Vapour Pressure | -5.664 |
Absorption and Metabolism information
| XLOGP3 AA | 12.5 |
| CACTVS TPSA | 0 |
| BBB Level | 4 |
| Absorption Level | 3 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 10.42 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Non-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Single-Carcinogen |
| Rat Male FDA | Non-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Non-Toxic |
| Rat Oral LD50 | 9.69958 g/kg_body_weight |
| Ocular Irritancy | None |
| Hepatotoxic#Prediction | 0 |
| Effected Human Genes |
Ecological Information
| Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | Severe |
| Environmental hazards | not classified |
Compound Biological Activity
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 7225-68-5 | 1,7-Dicyclopentyl-4-N-Octylheptane |
Compound Image
2D Structure
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