Decane-3,5-diol
PubChem CID: 13695605
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | SCHEMBL1228329 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 93.8 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | decane-3,5-diol |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Is Pains | False |
| Molecular Formula | C10H22O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DSAOCUXTCZOUHB-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 7.0 |
| Compound Name | Decane-3,5-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 174.162 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 174.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 174.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0461608 |
| Inchi | InChI=1S/C10H22O2/c1-3-5-6-7-10(12)8-9(11)4-2/h9-12H,3-8H2,1-2H3 |
| Smiles | CCCCCC(CC(CC)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:cmaup_ingredients