rel-(3R,5R)-1,1,3,5-Tetramethylcyclohexane
PubChem CID: 6432485
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| Compound Synonyms | Cyclohexane, 1,1,3,5-tetramethyl-, trans-, 50876-31-8, Cyclohexane, 1,1,3,5-tetramethyl-, (3R,5R)-rel-, DTXSID70880639, WOJSMJIXPQLESQ-RKDXNWHRSA-N, 1,1,3,5-Tetramethylcyclohexane, (E)-, NS00096267, rel-(3R,5R)-1,1,3,5-Tetramethylcyclohexane |
|---|---|
| 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 | C[C@@H]C[C@@H]C)CCC6)C)C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Saturated hydrocarbons |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Cycloalkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 101.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3R,5R)-1,1,3,5-tetramethylcyclohexane |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 4.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H20 |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Inchi Key | WOJSMJIXPQLESQ-RKDXNWHRSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | cyclohexane-1,1,3,5-tetramethyl |
| Esol Class | Soluble |
| Compound Name | rel-(3R,5R)-1,1,3,5-Tetramethylcyclohexane |
| Exact Mass | 140.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 140.157 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 140.27 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H20/c1-8-5-9(2)7-10(3,4)6-8/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1 |
| Smiles | C[C@@H]1C[C@H](CC(C1)(C)C)C |
| 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 Oryza Sativa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644099