(3,6,9,12,15,18,21-Heptoxanonatriacontyl) hydrogen but-2-ene-1,4-dioate
Basic information
- CAS
94158-39-1- Standard SMILES
CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOC(=O)/C=C/C(=O)O- InChIKey
LFTOSWHCXZSBCJ-VHEBQXMUSA-N- Molecular formula
- C36H68O11
- Average molar mass
- 676.9 g/mol
- Monoisotopic mass
- 676.47616298
Names & identifiers
- Preferred name
- (3,6,9,12,15,18,21-Heptoxanonatriacontyl) hydrogen but-2-ene-1,4-dioate
- IUPAC
- (E)-4-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-enoic acid
Names & synonyms
94158-39-1EINECS 303-109-4(3,6,9,12,15,18,21-Heptoxanonatriacontyl) hydrogen but-2-ene-1,4-dioateLFTOSWHCXZSBCJ-VHEBQXMUSA-N
Database identifiers
- CAS
94158-39-1- PubChem CID
- 44149482
- EC Number
- 303-109-4
- Nikkaji
- J368.395H
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 41
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 675
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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