Basic information
- CAS
7598-67-6- Standard SMILES
O=C(CCCCCCCCC(=O)OC(CCC1CCCO1)CCC1CCCO1)OC(CCC1CCCO1)CCC1CCCO1- InChIKey
TZZSRRQLPNHHLU-UHFFFAOYSA-N- Molecular formula
- C36H62O8
- Average molar mass
- 622.9 g/mol
- Monoisotopic mass
- 622.44446893
Names & identifiers
- Preferred name
- Bis[1,5-bis(oxolan-2-yl)pentan-3-yl] decanedioate
- IUPAC
- bis[1,5-bis(oxolan-2-yl)pentan-3-yl] decanedioate
Names & synonyms
7598-67-6Bis(1,5-bis(tetrahydrofuran-2-yl)pentan-3-yl) decanedioatebis[1,5-bis(oxolan-2-yl)pentan-3-yl] decanedioateNSC407929DTXSID50324889NSC-407929
Database identifiers
- CAS
7598-67-6- PubChem CID
- 348552
- DTXSID
DTXSID50324889
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 89.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 25
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 686
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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