12,14,14-Trimethyl-3,6,9-trioxapentadecan-1-ol
PubChem CID: 545734
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| Compound Synonyms | 12,14,14-Trimethyl-3,6,9-trioxapentadecan-1-ol, CQOVUZIFCWPUOD-UHFFFAOYSA-N, 2-(2-(2-[(3,5,5-Trimethylhexyl)oxy]ethoxy)ethoxy)ethanol # |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 189.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[2-[2-(3,5,5-trimethylhexoxy)ethoxy]ethoxy]ethanol |
| Prediction Hob | 0.0 |
| Xlogp | 2.5 |
| Molecular Formula | C15H32O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CQOVUZIFCWPUOD-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.566 |
| Rotatable Bond Count | 13.0 |
| Logd | 2.837 |
| Compound Name | 12,14,14-Trimethyl-3,6,9-trioxapentadecan-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 276.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.23 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 276.41 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2833854 |
| Inchi | InChI=1S/C15H32O4/c1-14(13-15(2,3)4)5-7-17-9-11-19-12-10-18-8-6-16/h14,16H,5-13H2,1-4H3 |
| Smiles | CC(CCOCCOCCOCCO)CC(C)(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients