1,5-Bis(oxolan-2-yl)pentan-3-yl nonanoate
Basic information
- CAS
5453-27-0- Standard SMILES
CCCCCCCCC(=O)OC(CCC1CCCO1)CCC1CCCO1- InChIKey
IZUINEIOLHLHIT-UHFFFAOYSA-N- Molecular formula
- C22H40O4
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.29265975
Names & identifiers
- Preferred name
- 1,5-Bis(oxolan-2-yl)pentan-3-yl nonanoate
- IUPAC
- 1,5-bis(oxolan-2-yl)pentan-3-yl nonanoate
Names & synonyms
NSC185645453-27-01,5-bis(oxolan-2-yl)pentan-3-yl nonanoateDTXSID60280780NSC-18564
Database identifiers
- CAS
5453-27-0- PubChem CID
- 227220
- DTXSID
DTXSID60280780
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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