Basic information
- CAS
85068-51-5- Standard SMILES
C=CCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCO- InChIKey
FSUNBVHKEPRZEA-UHFFFAOYSA-N- Molecular formula
- C25H48O9
- Average molar mass
- 492.6 g/mol
- Monoisotopic mass
- 492.3298331
Names & identifiers
- Preferred name
- 20-Hydroxy-3,6,9,12,15,18-hexaoxaicos-1-yl undec-10-enoate
- IUPAC
- 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl undec-10-enoate
- English name
- 20-hydroxy-3,6,9,12,15,18-hexaoxaicos-1-yl undec-10-enoate
- Molecular formula
- C25H48O9
- Molecular weight
- 492.64
Names & synonyms
85068-51-520-Hydroxy-3,6,9,12,15,18-hexaoxaicos-1-yl undec-10-enoateEINECS 285-311-1DTXSID00234146FSUNBVHKEPRZEA-UHFFFAOYSA-N20-HYDROXY-3,6,9,12,15,18-HEXAOXAICOSAN-1-YL UNDEC-10-ENOATENS0003875410-Undecenoic acid, 20-hydroxy-3,6,9,12,15,18-hexaoxaeicos-1-yl ester10-Undecenoic acid 20-hydroxy-3,6,9,12,15,18-hexaoxaicosan-1-yl ester
Database identifiers
- CAS
85068-51-5- PubChem CID
- 44153140
- DTXSID
DTXSID00234146- EC Number
- 285-311-1
- Nikkaji
- J309.655F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 30
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 421
Physicochemical properties
- Boiling point
- 555.9 · 555.9±45.0 °C(Predicted)
- Density
- 1.036 · 1.036±0.06 g/cm3(Predicted)
- pka
- 14.36 · 14.36±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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