Basic information
- CAS
55333-56-7- Standard SMILES
C1CCOCCOCCOCCOCCOCCCCCC2(CC1)OCCO2- InChIKey
ROKIRHDJKNNTFU-UHFFFAOYSA-N- Molecular formula
- C21H40O7
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.27740361
Names & identifiers
- Preferred name
- 1,4,11,14,17,20,23-Heptaoxaspiro[4.23]octacosane
- IUPAC
- 1,4,11,14,17,20,23-heptaoxaspiro[4.23]octacosane
Names & synonyms
55333-56-71,4,11,14,17,20,23-heptaoxaspiro[4.23]octacosaneNSC361626DTXSID70320585NSC-361626
Database identifiers
- CAS
55333-56-7- PubChem CID
- 338552
- DTXSID
DTXSID70320585
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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