2-[2-[3,4-bis(2-hydroxyethoxy)oxolan-2-yl]-2-(2-hydroxyethoxy)ethoxy]ethyl (Z)-octadec-9-enoate
Basic information
- Standard SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCCOCC(OCCO)C1OCC(OCCO)C1OCCO- InChIKey
HDTIFOGXOGLRCB-KTKRTIGZSA-N- Molecular formula
- C32H60O10
- Average molar mass
- 604.8 g/mol
- Monoisotopic mass
- 604.41864811
Overview
See also: Polyoxyethylene sorbitan monooleate (annotation moved to).
Names & identifiers
- Preferred name
- 2-[2-[3,4-bis(2-hydroxyethoxy)oxolan-2-yl]-2-(2-hydroxyethoxy)ethoxy]ethyl (Z)-octadec-9-enoate
- IUPAC
- 2-[2-[3,4-bis(2-hydroxyethoxy)oxolan-2-yl]-2-(2-hydroxyethoxy)ethoxy]ethyl (Z)-octadec-9-enoate
Names & synonyms
2-(2-(3,4-Bis(2-hydroxyethoxy)tetrahydrofuran-2-yl)-2-(2-hydroxyethoxy)ethoxy)ethyl oleate2-[2-[3,4-bis(2-hydroxyethoxy)oxolan-2-yl]-2-(2-hydroxyethoxy)ethoxy]ethyl (Z)-octadec-9-enoateC32H60O10MFCD00082107orb2279274CHEMBL2074627DTXSID9058658SCHEMBL12156205T13947EN300-229325122-[2-[3,4-bis(2-hydroxyethoxy)tetrahydrofuran-2-yl]-2-(2-hydroxyethoxy)ethoxy]ethyl (Z)-octadec-9-enoate2-{2-[3,4-BIS(2-HYDROXYETHOXY)OXOLAN-2-YL]-2-(2-HYDROXYETHOXY)ETHOXY}ETHYL (9Z)-OCTADEC-9-ENOATE
Show more names
3,6-Anhydro-2,4,5-tris-O-(2-hydroxyethyl)-1-O-(2-{[(9Z)-octadec-9-enoyl]oxy}ethyl)hexitol9050-57-1
Database identifiers
- PubChem CID
- 6364656
- DTXSID
DTXSID9058658- ChEMBL
CHEMBL2074627
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 31
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 632
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Related reactions
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Compound notes
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