(1-Methylnonyl)cyclohexane
PubChem CID: 524432
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| Compound Synonyms | decan-2-ylcyclohexane, Decane, 2-cyclohexyl-, DECANE2-CYCLOHEXYL-,2-CYCLOH, 13151-73-0, 2-Cyclohexyldecane, (1-Methylnonyl)cyclohexane, Cyclohexane, 1-methylnonyl, (1-Methylnonyl)cyclohexane #, XMDXQLIFVIVRKI-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 144.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | decan-2-ylcyclohexane |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 8.1 |
| Is Pains | False |
| Molecular Formula | C16H32 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XMDXQLIFVIVRKI-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 8.0 |
| Compound Name | (1-Methylnonyl)cyclohexane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 224.25 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 224.25 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 224.42 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.8001784 |
| Inchi | InChI=1S/C16H32/c1-3-4-5-6-7-9-12-15(2)16-13-10-8-11-14-16/h15-16H,3-14H2,1-2H3 |
| Smiles | CCCCCCCCC(C)C1CCCCC1 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients