4-Hexadecanol
PubChem CID: 34541
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4-Hexadecanol, hexadecan-4-ol, 19781-43-2, 29354-98-1, DTXSID50275100, 4-hydroxyhexadecane, SCHEMBL378816, DTXCID20226548, DTXSID70865486, CHEBI:197394, EINECS 249-583-5, AKOS012718077, NS00122530, G69827 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 133.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hexadecan-4-ol |
| Prediction Hob | 1.0 |
| Xlogp | 7.0 |
| Molecular Formula | C16H34O |
| Prediction Swissadme | 0.0 |
| Inchi Key | JIMMILCKVYOFET-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.124 |
| Rotatable Bond Count | 13.0 |
| Logd | 0.82 |
| Compound Name | 4-Hexadecanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.261 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.261 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 242.44 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.914071399999999 |
| Inchi | InChI=1S/C16H34O/c1-3-5-6-7-8-9-10-11-12-13-15-16(17)14-4-2/h16-17H,3-15H2,1-2H3 |
| Smiles | CCCCCCCCCCCCC(CCC)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gossypium Herbaceum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients