1,16-Hexadecanediol
PubChem CID: 82184
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1,16-Hexadecanediol, 7735-42-4, Hexadecane-1,16-diol, 1,16-Dihydroxyhexadecane, Hexadecamethylene glycol, 23079-20-1, Z799LHM79S, 1,16-hexadecane-diol, EINECS 231-794-9, MFCD00002821, DTXSID7064788, 1,16-Hexydecanediol, C16H34O2, 1,16 Hexadecandiol, hexadecan-1,16-diol, alpha,omega-hexadecanediol, UNII-Z799LHM79S, SCHEMBL318857, 1,16-Hexadecanediol, 97%, CHEMBL448715, QSPL 082, DTXCID3047972, CHEBI:195244, AKOS015856534, HY-W105735, AS-57115, DA-48981, FH152409, SY051530, Urea, compounded with 1,16-hexadecanediol, CS-0158377, H0552, NS00037911, T72930, 231-794-9 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | OCCCCCCCCCCCCCCCCO |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 121.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hexadecane-1,16-diol |
| Prediction Hob | 1.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GJBXIPOYHVMPQJ-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 1.0 |
| Logs | -4.271 |
| Rotatable Bond Count | 15.0 |
| Logd | 3.316 |
| Synonyms | 1,16-hexadecanediol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | 1,16-Hexadecanediol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 258.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 258.44 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.929965199999999 |
| Inchi | InChI=1S/C16H34O2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h17-18H,1-16H2 |
| Smiles | C(CCCCCCCCO)CCCCCCCO |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Platycladus Orientalis (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729 - 2. Outgoing r'ship
FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Thalictrum Ichangense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all