1,7-Dicyclohexyl-4-(3-cyclohexylpropyl)heptane
PubChem CID: 296571
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 55334-73-1, 1,7-Dicyclohexyl-4-(3-cyclohexylpropyl)heptane, 1,7-dicyclohexyl-4-(3-cyclohexylpropyl)-heptane, NSC166789, DTXSID30304684, IJBGDXMHVWEWQQ-UHFFFAOYSA-N, Cyclohexane, 1,1'-[4-(3-cyclohexylpropyl)-1,7-heptanediyl]bis-, NSC-166789, DB-311294, [7-Cyclohexyl-4-(3-cyclohexylpropyl)heptyl]cyclohexane #, 1,1'-[4-(3-Cyclohexylpropyl)-1,7-heptanediyl ]biscyclohexane, Cyclohexane,1'-[4-(3-cyclohexylpropyl)-1,7-heptanediyl]bis- |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(CCCC(CCCC2CCCCC2)CCCC2CCCCC2)CC1 |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCCC6)))))))CCCCCCCCCCC6)))))))))CCCCCCCCC6 |
| Heavy Atom Count | 28.0 |
| Classyfire Class | Saturated hydrocarbons |
| Scaffold Graph Node Level | C1CCC(CCCC(CCCC2CCCCC2)CCCC2CCCCC2)CC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 297.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [7-cyclohexyl-4-(3-cyclohexylpropyl)heptyl]cyclohexane |
| Veber Rule | False |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 13.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C28H52 |
| Scaffold Graph Node Bond Level | C1CCC(CCCC(CCCC2CCCCC2)CCCC2CCCCC2)CC1 |
| Inchi Key | IJBGDXMHVWEWQQ-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 12.0 |
| Synonyms | 1,1'-[4-(3-cyclohexylpropyl)-1,7-heptanediyl]bis cyclohexane |
| Esol Class | Insoluble |
| Compound Name | 1,7-Dicyclohexyl-4-(3-cyclohexylpropyl)heptane |
| Exact Mass | 388.407 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 388.407 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 388.7 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C28H52/c1-4-13-25(14-5-1)19-10-22-28(23-11-20-26-15-6-2-7-16-26)24-12-21-27-17-8-3-9-18-27/h25-28H,1-24H2 |
| Smiles | C1CCC(CC1)CCCC(CCCC2CCCCC2)CCCC3CCCCC3 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965