Pentylcyclohexane
PubChem CID: 20284
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| Compound Synonyms | n-Pentylcyclohexane, PENTYLCYCLOHEXANE, 4292-92-6, n-Amylcyclohexane, 1-Cyclohexylpentane, Cyclohexane, pentyl-, Amylcyclohexane, Cyclohexane, n-pentyl-, EINECS 224-296-8, DTXSID2063399, nPentylcyclohexane, pentyl-cyclohexane, 1Cyclohexylpentane, n-Amyl cyclohexane, Cyclohexane, pentyl, MFCD00019402, Pentane, 1-cyclohexyl-, DTXCID8040193, AKOS030574083, AS-47894, DB-050994, A0745, CS-0207482, NS00031266, F16714, 224-296-8 |
|---|---|
| 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 | CCCCCCCCCCC6 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Saturated hydrocarbons |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Cycloalkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 80.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pentylcyclohexane |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 5.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C11H22 |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HLTMUYBTNSVOFY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -5.835 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.394 |
| Synonyms | cyclohexane panthyl |
| Esol Class | Moderately soluble |
| Compound Name | Pentylcyclohexane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 154.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 154.29 |
| 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 | -4.104741399999999 |
| Inchi | InChI=1S/C11H22/c1-2-3-5-8-11-9-6-4-7-10-11/h11H,2-10H2,1H3 |
| Smiles | CCCCCC1CCCCC1 |
| Nring | 1.0 |
| 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 Chrysanthemum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Chrysanthemum Morifolium (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644099