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Basic information
- Standard SMILES
COCOc1cc(OC)c(OCOC)c(CCCOCCc2c(OC)c(OCOC)cc(OC)c2OCOC)c1OC- InChIKey
JURHXGAHTAFZPI-UHFFFAOYSA-N- Molecular formula
- C29H44O13
- Average molar mass
- 600.7 g/mol
Names & identifiers
- Preferred name
- 2-[2,5-Dimethoxy-3,6-bis(methoxymethoxy)phenyl]ethyl 3-[2,5-dimethoxy-3,6-bis(methoxymethoxy)phenyl]propyl ether
- IUPAC
- 3-[3-[2-[2,5-dimethoxy-3,6-bis(methoxymethoxy)phenyl]ethoxy]propyl]-1,4-dimethoxy-2,5-bis(methoxymethoxy)benzene
Names & synonyms
SCHEMBL9578756JURHXGAHTAFZPI-UHFFFAOYSA-N2-[2,5-dimethoxy-3,6-bis(methoxymethoxy)phenyl]ethyl 3 -[2,5-dimethoxy-3,6-bis(methoxymethoxy)phenyl]propyl ether2-[2,5-dimethoxy-3,6-bis(methoxymethoxy)phenyl]ethyl 3-[2,5-dimethoxy-3,6bis(methoxymethoxy)phenyl]propyl ether
Database identifiers
- PubChem CID
- 19757253
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 23
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 659
Related reactions
3 records
Compound notes
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