1-(Octyloxy)-1-oxopropan-2-yl 2-hydroxypropanoate
Basic information
- CAS
5394-45-6- Standard SMILES
CCCCCCCCOC(=O)C(C)OC(=O)C(C)O- InChIKey
SIXCXGVWPHALCS-UHFFFAOYSA-N- Molecular formula
- C14H26O5
- Average molar mass
- 274.35 g/mol
- Monoisotopic mass
- 274.17802393
Names & identifiers
- Preferred name
- 1-(Octyloxy)-1-oxopropan-2-yl 2-hydroxypropanoate
- IUPAC
- (1-octoxy-1-oxopropan-2-yl) 2-hydroxypropanoate
Names & synonyms
5394-45-62-hydroxy-propionic acid 1-octyloxycarbonyl-ethyl ester1-(octyloxy)-1-oxopropan-2-yl 2-hydroxypropanoateNSC1476SCHEMBL16203063DTXSID20277292NSC-1476LACTIC ACID, ESTER WITH OCTYL LACTATE
Database identifiers
- CAS
5394-45-6- PubChem CID
- 219792
- DTXSID
DTXSID20277292
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 265
Experimental & physicochemical properties
SpringerMaterials PropertiesViscosity
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Compound notes
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