Methylcyclooctane
PubChem CID: 15167
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| Compound Synonyms | METHYLCYCLOOCTANE, 1502-38-1, Cyclooctane, methyl-, CYCLO OCTANE METHYL, DTXSID20164491, POCNHGFJLGYFIK-UHFFFAOYSA-N, AKOS006273260, NS00096058 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 58.4 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methylcyclooctane |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C9H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | POCNHGFJLGYFIK-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.888 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.923 |
| Compound Name | Methylcyclooctane |
| 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 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5774066 |
| Inchi | InChI=1S/C9H18/c1-9-7-5-3-2-4-6-8-9/h9H,2-8H2,1H3 |
| Smiles | CC1CCCCCCC1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients