Butylpentyl ether
PubChem CID: 29161
Connections displayed (default: 10).
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| Compound Synonyms | 1-Butoxypentane, BUTYLPENTYL ETHER, 18636-66-3, Ether, butyl pentyl, Pentane, 1-butoxy-, amyl butylate, butyl pentyl ether, 1-Butoxypentane #, SCHEMBL131511, DTXSID80171883, FVUDRZSBJPQJBX-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 52.7 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-butoxypentane |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C9H20O |
| Prediction Swissadme | 0.0 |
| Inchi Key | FVUDRZSBJPQJBX-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.258 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.433 |
| Compound Name | Butylpentyl ether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 144.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 144.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 144.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6348995999999993 |
| Inchi | InChI=1S/C9H20O/c1-3-5-7-9-10-8-6-4-2/h3-9H2,1-2H3 |
| Smiles | CCCCCOCCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pterocarpus Indicus (Plant) Rel Props:Source_db:cmaup_ingredients