1,2-Hexadecanediol
PubChem CID: 98037
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1,2-Hexadecanediol, Hexadecane-1,2-diol, 6920-24-7, Cetyl glycol, 1,2-Dihydroxyhexadecane, UNII-1H07JK4G0C, 1,2-palmityl diol, 1,2-hexadecyl diol, hexadecan-1,2-diol, EINECS 230-030-1, MFCD00004727, NSC 71525, NSC-71525, 2-HYDROXYCETYL ALCOHOL, AI3-14193, (+/-)-CETYL GLYCOL, 1H07JK4G0C, 1,2-HEXADECYLENE GLYCOL, CHEBI:75586, DTXSID60884343, CETYL GLYCOL, (+/-)-, NSC71525, 1,2Dihydroxyhexadecane, CETYL GLYCOL [INCI], SCHEMBL28807, 1,2-Hexadecanediol (8CI), DTXCID801023790, AKOS015902888, FH30638, AS-57146, SY051626, 1,2-Hexadecanediol, technical grade, 90%, H0993, NS00013443, EN300-73462, D90985, Q27105052, 230-030-1 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 148.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hexadecane-1,2-diol |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 6.1 |
| Is Pains | False |
| Molecular Formula | C16H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BTOOAFQCTJZDRC-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 14.0 |
| Compound Name | 1,2-Hexadecanediol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 258.256 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 258.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 258.44 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.380265199999999 |
| Inchi | InChI=1S/C16H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h16-18H,2-15H2,1H3 |
| Smiles | CCCCCCCCCCCCCCC(CO)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients