5-Methyl-1-hexanol
PubChem CID: 12331
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 5-METHYL-1-HEXANOL, 5-methylhexanol, 5-Methylhexan-1-ol, 627-98-5, Isoheptan-1-ol, Isoheptanol, 51774-11-9, 1-Hexanol, 5-methyl-, 5-Methylhexanol-d7, 5-Methyl-hexan-1-ol, MFCD00072703, 1PLY0QE25K, Q766MX3689, 5-Methyl-1-hexanol, , 947140-89-8, isoheptyl alcohol, EINECS 257-413-6, EINECS 211-023-2, Alcohols,c6-8-branched, EXXAL 7, UNII-1PLY0QE25K, 5-Methyl-1-hexanol, 97%, SCHEMBL104527, UNII-Q766MX3689, DTXSID501031584, GEO-01853, AKOS009156368, CS-W011227, FS-5402, SY083602, DB-254963, NS00020522, D94723, EN300-126439 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 41.7 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methylhexan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C7H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZVHAANQOQZVVFD-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.761 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.329 |
| Compound Name | 5-Methyl-1-hexanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 116.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 116.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 116.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6383648 |
| Inchi | InChI=1S/C7H16O/c1-7(2)5-3-4-6-8/h7-8H,3-6H2,1-2H3 |
| Smiles | CC(C)CCCCO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Thlaspi Arvense (Plant) Rel Props:Source_db:cmaup_ingredients