Basic information
- CAS
5776-51-2- Standard SMILES
CCCC(=O)OC1C(OC(=O)CCC)C(OC(=O)CCC)C(OC(=O)CCC)C(OC(=O)CCC)C1OC(=O)CCC- InChIKey
BPLHFMFLOOJRFC-UHFFFAOYSA-N- Molecular formula
- C30H48O12
- Average molar mass
- 600.7 g/mol
- Monoisotopic mass
- 600.31457696
Names & identifiers
- Preferred name
- 2,3,4,5,6-Pentakis(butyryloxy)cyclohexyl butyrate
- IUPAC
- [2,3,4,5,6-penta(butanoyloxy)cyclohexyl] butanoate
Names & synonyms
NSC639885[2,3,4,5,6-penta(butanoyloxy)cyclohexyl] butanoate2,3,4,5,6-Pentakis(butyryloxy)cyclohexyl butyrateSCHEMBL3189856DTXSID701366854NSC-639885myo-Inositol, 1,2,3,4,5,6-hexabutanoatecyclohexane-1,2,3,4,5,6-hexol hexabutanoate5776-51-2
Database identifiers
- CAS
5776-51-2- PubChem CID
- 368741
- DTXSID
DTXSID701366854
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 24
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 703
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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