3,3'-(Sulfonyldimethanediyl)dipentan-3-ol

HCID 283238

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Basic information

CAS: 51384-40-8
Standard SMILES: CCC(O)(CC)CS(=O)(=O)CC(O)(CC)CC
InChIKey: ZAHJBANHIXXRBR-UHFFFAOYSA-N
Molecular formula: C12H26O4S
Average molar mass: 266.4 g/mol
Monoisotopic mass: 266.15518048

Names & identifiers

Preferred name: 3,3'-(Sulfonyldimethanediyl)dipentan-3-ol
IUPAC: 3-[(2-ethyl-2-hydroxybutyl)sulfonylmethyl]pentan-3-ol

Names & synonyms

3,3'-(sulfonyldimethanediyl)dipentan-3-ol51384-40-8DTXSID40300576RefChem:269872DTXCID40251711NSC137609NSC-1376093,3'-[Sulfonylbis(methylene)]di(pentan-3-ol)

Database identifiers

CAS: 51384-40-8
PubChem CID: 283238
DTXSID: DTXSID40300576
Nikkaji: J2.256.277K

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 83 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 17
Formal charge: 0
Complexity: 282

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