3-(Heptanoyloxy)-2-(octanoyloxy)propyl dodecanoate
Basic information
- CAS
68130-53-0- Standard SMILES
CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCCC- InChIKey
QLFNMEAVIXLCHS-UHFFFAOYSA-N- Molecular formula
- C30H56O6
- Average molar mass
- 512.8 g/mol
- Monoisotopic mass
- 512.4076895
Names & identifiers
- Preferred name
- 3-(Heptanoyloxy)-2-(octanoyloxy)propyl dodecanoate
- IUPAC
- (3-heptanoyloxy-2-octanoyloxypropyl) dodecanoate
Names & synonyms
RefChem:1067154DTXCID10815662DTXSID808674763-(HEPTANOYLOXY)-2-(OCTANOYLOXY)PROPYL DODECANOATEQLFNMEAVIXLCHS-UHFFFAOYSA-N
Database identifiers
- CAS
68130-53-0- PubChem CID
- 3085368
Properties
Computed structural properties
- XLogP
- 10.6
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 29
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 534
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…