7-Methyloctan-4-ol
PubChem CID: 118118
Connections displayed (default: 10).
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| Compound Synonyms | 7-Methyloctan-4-ol, 7-Methyl-4-octanol, 33933-77-6, 4-Octanol, 7-methyl-, EINECS 251-748-1, SCHEMBL108353, DTXSID40955520, AKOS009158077, NS00054805 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 69.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methyloctan-4-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C9H20O |
| Prediction Swissadme | 0.0 |
| Inchi Key | KJMBBHZOLRRVMV-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.491 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.379 |
| Compound Name | 7-Methyloctan-4-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 | -2.3006995999999997 |
| Inchi | InChI=1S/C9H20O/c1-4-5-9(10)7-6-8(2)3/h8-10H,4-7H2,1-3H3 |
| Smiles | CCCC(CCC(C)C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients