Triton X-100.16

HCID 14496629
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Basic information

Standard SMILES
CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1
InChIKey
GKFYMSIYJJSQAO-UHFFFAOYSA-N
Molecular formula
C46H86O17
Average molar mass
911.2 g/mol
Monoisotopic mass
910.58650129

Names & identifiers

Preferred name
Triton X-100.16
IUPAC
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

Names & synonyms

Triton X-100.16SCHEMBL16198907DTXSID00101838347-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-pentadecaoxaheptatetracontan-1-ol

Database identifiers

PubChem CID
14496629
DTXSID
DTXSID001018383
Nikkaji
J2.019.785D

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
168 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
17
Rotatable bonds
51
Heavy atoms
63

Related reactions

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