2-[(6-Methoxy-6-oxohexyl)oxy]-6-[6-(methylsulfonyl)oxyhexyl]benzenepropanoic acid methyl ester

HCID 54280331

Basic information

Standard SMILES
COC(=O)CCCCCOc1cccc(CCCCCCOS(C)(=O)=O)c1CCC(=O)OC
InChIKey
RQJAZXXXWVFFFB-UHFFFAOYSA-N
Molecular formula
C24H38O8S
Average molar mass
486.6 g/mol

Names & identifiers

Preferred name
2-[(6-Methoxy-6-oxohexyl)oxy]-6-[6-(methylsulfonyl)oxyhexyl]benzenepropanoic acid methyl ester
IUPAC
methyl 6-[2-(3-methoxy-3-oxopropyl)-3-(6-methylsulfonyloxyhexyl)phenoxy]hexanoate

Names & synonyms

SCHEMBL8799337RQJAZXXXWVFFFB-UHFFFAOYSA-N2-[(6-methoxy-6-oxohexyl)oxy]-6-[6-(methylsulfonyl)oxyhexyl]benzenepropanoic acid methyl ester2-[(6-Methoxy-6-oxohexyl)oxy]-6-[6-[(methylsulfonyl)oxy]hexyl]benzenepropanoic Acid Methyl Ester

Database identifiers

PubChem CID
54280331

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
114 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
20
Heavy atoms
33

Related reactions

5 records

Compound notes

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