6-Methyloctan-1-ol
PubChem CID: 520908
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 6-Methyloctan-1-ol, 38514-05-5, 6-Methyl-1-octanol, 1-Octanol, 6-methyl-, EINECS 253-977-2, DTXSID10959373, 6-methyloctanol, SCHEMBL50953, DTXCID50939472, MFCD02258715, AKOS006230286, SB44916, SB84051, DS-16513, DB-341866, CS-0203503, NS00058094, C74966, 253-977-2 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 61.7 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methyloctan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C9H20O |
| Prediction Swissadme | 0.0 |
| Inchi Key | WWRGKAMABZHMCN-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.568 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.795 |
| Compound Name | 6-Methyloctan-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 144.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 144.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 144.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3606996000000002 |
| Inchi | InChI=1S/C9H20O/c1-3-9(2)7-5-4-6-8-10/h9-10H,3-8H2,1-2H3 |
| Smiles | CCC(C)CCCCCO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chimonanthus Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients