3,7-Dimethyloctyl 2-pyrrolidin-1-ylacetate
Basic information
- CAS
5995-61-9- Standard SMILES
CC(C)CCCC(C)CCOC(=O)CN1CCCC1- InChIKey
YUHONZLMSQQDQT-UHFFFAOYSA-N- Molecular formula
- C16H31NO2
- Average molar mass
- 269.42 g/mol
- Monoisotopic mass
- 269.23547923
Names & identifiers
- Preferred name
- 3,7-Dimethyloctyl 2-pyrrolidin-1-ylacetate
- IUPAC
- 3,7-dimethyloctyl 2-pyrrolidin-1-ylacetate
Names & synonyms
3,7-dimethyloctyl 2-pyrrolidin-1-ylacetate5995-61-9DTXSID30387078RefChem:272630DTXCID703381003,7-dimethyloctyl pyrrolidin-1-ylacetateCBMicro_0486943,7-Dimethyloctyl (pyrrolidin-1-yl)acetateMLS000768665CHEMBL2135412HMS2804J20STK010270
Show more names
AKOS001647277AKOS0220778883,7-dimethyloctyl 1-pyrrolidinylacetateSMR000431984BIM-0048746.P001SR-01000460291SR-01000460291-13,7-DIMETHYLOCTYL 2-(PYRROLIDIN-1-YL)ACETATE
Database identifiers
- CAS
5995-61-9- PubChem CID
- 2880101
- DTXSID
DTXSID30387078- ChEMBL
CHEMBL2135412
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 247
Experimental & physicochemical properties
Solubility1.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…