Triton X-100.18

HCID 14496631
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Basic information

Standard SMILES
CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1
InChIKey
SXKQKPNORTWHGO-UHFFFAOYSA-N
Molecular formula
C50H94O19
Average molar mass
999.3 g/mol
Monoisotopic mass
998.63893079

Names & identifiers

Preferred name
Triton X-100.18
IUPAC
2-[2-[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]ethoxy]ethoxy]ethanol

Names & synonyms

Triton X-100.18DTXSID80101838753-[4-(2,4,4-Trimethylpentan-2-yl)phenoxy]-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-heptadecaoxatripentacontan-1-ol

Database identifiers

PubChem CID
14496631
DTXSID
DTXSID801018387

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
186 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
19
Rotatable bonds
57
Heavy atoms
69

Related reactions

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