Propylcyclohexane
PubChem CID: 15505
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| Compound Synonyms | Propylcyclohexane, 1678-92-8, Cyclohexane, propyl-, N-PROPYLCYCLOHEXANE, propyl-cyclohexane, T6QU2W806V, Cyclohexane, n-propyl-, EINECS 216-836-6, MFCD00013770, NSC 44885, NSC-44885, UNII-T6QU2W806V, DTXSID4074699, 1-Cyclohexylpropane, nPropylcyclohexane, Cyclohexane, propyl, NSC44885, Propylcyclohexane, 99%, Cyclohexane, propyl-(8CI), DTXCID9035387, CHEBI:229284, Cyclohexane, propyl-(8CI)(9CI), 1,2-DI-n-PROPYL CYCLOHEXANE, LMFA11000661, AKOS015906916, LS-13698, SY051883, DB-043718, NS00025507, P0681, D91999, Q63392603, 216-836-6 |
|---|---|
| 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 | C1CCCCC1 |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCCCC6 |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Saturated hydrocarbons |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Cycloalkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 60.4 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | propylcyclohexane |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 4.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H18 |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DEDZSLCZHWTGOR-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 2.0 |
| Synonyms | propyl cyclohexane, propylcyclohexane |
| Esol Class | Soluble |
| Compound Name | Propylcyclohexane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 126.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 126.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 126.24 |
| 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 |
| Esol | -3.7037065999999994 |
| Inchi | InChI=1S/C9H18/c1-2-6-9-7-4-3-5-8-9/h9H,2-8H2,1H3 |
| Smiles | CCCC1CCCCC1 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Albizia Lebbeck (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643875 - 2. Outgoing r'ship
FOUND_INto/from Asystasia Gangetica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643975 - 3. Outgoing r'ship
FOUND_INto/from Crataegus Pinnatifida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all