Triton X-100R.18

HCID 154735191
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Basic information

Standard SMILES
CC(C)(C)CC(C)(C)C1CCC(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)CC1
InChIKey
JTIXXMONCHYOCM-UHFFFAOYSA-N
Molecular formula
C50H100O19
Average molar mass
1,005.3 g/mol
Monoisotopic mass
1,004.68588098

Names & identifiers

Preferred name
Triton X-100R.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)cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

Names & synonyms

Triton X-100R.18DTXSID10101842953-{[4-(2,4,4-Trimethylpentan-2-yl)cyclohexyl]oxy}-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-heptadecaoxatripentacontan-1-ol

Database identifiers

PubChem CID
154735191
DTXSID
DTXSID101018429

Properties

Computed structural properties

XLogP
1.9
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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