Octane-1,4,7-triyl tridecanoate
Basic information
- CAS
5453-36-1- Standard SMILES
CCCCCCCCCC(=O)OCCCC(CCC(C)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC- InChIKey
YUQPLGDFRZAIPX-UHFFFAOYSA-N- Molecular formula
- C38H72O6
- Average molar mass
- 625 g/mol
- Monoisotopic mass
- 624.53289001
Names & identifiers
- Preferred name
- Octane-1,4,7-triyl tridecanoate
- IUPAC
- 4,7-di(decanoyloxy)octyl decanoate
Names & synonyms
octane-1,4,7-triyl tridecanoateNSC185775453-36-1DTXSID00280789YUQPLGDFRZAIPX-UHFFFAOYSA-NNSC-18577
Database identifiers
- CAS
5453-36-1、66586-93-4- PubChem CID
- 227233
- DTXSID
DTXSID00280789
Properties
Computed structural properties
- XLogP
- 14.1
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 36
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 664
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…