2-[(Heptanoyloxy)methyl]-2-[(octanoyloxy)methyl]-3-(pentanoyloxy)propyl decanoate
Basic information
- CAS
71010-74-7- Standard SMILES
CCCCCCCCCC(=O)OCC(COC(=O)CCCC)(COC(=O)CCCCCC)COC(=O)CCCCCCC- InChIKey
FXBBJRIECMQZCL-UHFFFAOYSA-N- Molecular formula
- C35H64O8
- Average molar mass
- 612.9 g/mol
- Monoisotopic mass
- 612.460119
Names & identifiers
- Preferred name
- 2-[(Heptanoyloxy)methyl]-2-[(octanoyloxy)methyl]-3-(pentanoyloxy)propyl decanoate
- IUPAC
- [2-(heptanoyloxymethyl)-2-(octanoyloxymethyl)-3-pentanoyloxypropyl] decanoate
Names & synonyms
DTXSID409913072-[(Heptanoyloxy)methyl]-2-[(octanoyloxy)methyl]-3-(pentanoyloxy)propyl decanoate
Database identifiers
- CAS
71010-74-7- PubChem CID
- 3085446
- DTXSID
DTXSID40991307
Properties
Computed structural properties
- XLogP
- 10.8
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 34
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 723
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Compound notes
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