OCTOXYNOL 9

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure
InChI Key HNLXNOZHXNSSPN-UHFFFAOYSA-N
Smile CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCOCCO)cc1
InChI
InChI=1S/C28H50O8/c1-27(2,3)24-28(4,5)25-6-8-26(9-7-25)36-23-22-35-21-20-34-19-18-33-17-16-32-15-14-31-13-12-30-11-10-29/h6-9,29H,10-24H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H50O8
Molecular Weight 514.7
AlogP 3.87
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 23.0
Polar Surface Area 84.84
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 36.0

Cross References

Resources Reference
ChEMBL CHEMBL2104613
EPA CompTox DTXSID60179685
ZINC ZINC000013523785
CONTENTS