1-Methyl-4-(6-methylhept-5-en-2-yl)cyclohexane
PubChem CID: 5316889
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 190.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-4-(6-methylhept-5-en-2-yl)cyclohexane |
| Prediction Hob | 1.0 |
| Xlogp | 6.5 |
| Molecular Formula | C15H28 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PLGPPVNYZMVRCY-UHFFFAOYSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -6.576 |
| Rotatable Bond Count | 4.0 |
| Logd | 5.367 |
| Compound Name | 1-Methyl-4-(6-methylhept-5-en-2-yl)cyclohexane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 208.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.219 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 208.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.969311799999999 |
| Inchi | InChI=1S/C15H28/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,13-15H,5,7-11H2,1-4H3 |
| Smiles | CC1CCC(CC1)C(C)CCC=C(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients