6-[2-(Diethylamino)ethoxy]-3,6-dimethyloct-4-yn-3-ol
Basic information
- CAS
38873-27-7- Standard SMILES
CCN(CC)CCOC(C)(C#CC(C)(O)CC)CC- InChIKey
OGOKFGNVHLBTQE-UHFFFAOYSA-N- Molecular formula
- C16H31NO2
- Average molar mass
- 269.42 g/mol
- Monoisotopic mass
- 269.23547923
Names & identifiers
- Preferred name
- 6-[2-(Diethylamino)ethoxy]-3,6-dimethyloct-4-yn-3-ol
- IUPAC
- 6-[2-(diethylamino)ethoxy]-3,6-dimethyloct-4-yn-3-ol
Names & synonyms
38873-27-7NSC3589996-[2-(Diethylamino)ethoxy]-3,6-dimethyloct-4-yn-3-olSCHEMBL15861991DTXSID70320409NSC-358999
Database identifiers
- CAS
38873-27-7- PubChem CID
- 338098
- DTXSID
DTXSID70320409
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
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Compound notes
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