28,28-Dimethyl-3,6,9,12,15,18,21,24-octaoxa-27-thiaheptatriacontan-1-OL

HCID 219949

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Basic information

CAS: 5396-47-4
Standard SMILES: CCCCCCCCCC(C)(C)SCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChIKey: RQDPJHXJFXIAJA-UHFFFAOYSA-N
Molecular formula: C30H62O9S
Average molar mass: 598.9 g/mol
Monoisotopic mass: 598.41145472

Names & identifiers

Preferred name: 28,28-Dimethyl-3,6,9,12,15,18,21,24-octaoxa-27-thiaheptatriacontan-1-OL
IUPAC: 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylundecan-2-ylsulfanyl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

Names & synonyms

5396-47-428,28-DIMETHYL-3,6,9,12,15,18,21,24-OCTAOXA-27-THIAHEPTATRIACONTAN-1-OLNSC1802DTXSID40277350NSC-180228,6,9,12,15,18,21,24-OCTAOXA-27-THIAHEPTATRIACONTAN-1-OL

Database identifiers

CAS: 5396-47-4
PubChem CID: 219949
DTXSID: DTXSID40277350

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 119 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 10
Rotatable bonds: 35
Heavy atoms: 40
Formal charge: 0
Complexity: 472

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