1-Decanol, 1-(decyloxy)-
PubChem CID: 106969
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| Compound Synonyms | 1-Decanol, 1-(decyloxy)-, 1-(Decyloxy)decanol, Decyl aldehyde monodecyl acetal, 67923-56-2, EINECS 267-772-0, DTXSID30887043, AHTIKRKNSPTMBE-UHFFFAOYSA-N, DTXCID201026358, NS00056353 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 194.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-decoxydecan-1-ol |
| Prediction Hob | 0.0 |
| Xlogp | 8.6 |
| Molecular Formula | C20H42O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AHTIKRKNSPTMBE-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -6.688 |
| Rotatable Bond Count | 18.0 |
| Logd | 4.429 |
| Compound Name | 1-Decanol, 1-(decyloxy)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.318 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.318 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 314.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.995034799999999 |
| Inchi | InChI=1S/C20H42O2/c1-3-5-7-9-11-13-15-17-19-22-20(21)18-16-14-12-10-8-6-4-2/h20-21H,3-19H2,1-2H3 |
| Smiles | CCCCCCCCCCOC(CCCCCCCCC)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Boswellia Carterii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients