di-n-octyl phthalate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 31
Total Number of Articles : 13
PubChem 8346
Molecular Formula

C24H38O4

SMILES

CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC

InChI

InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3

synonyms
  • Dioctyl phthalate
  • DI-N-OCTYL PHTHALATE
  • 117-84-0
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Properties
Property Value
MW 390.6 g/mol
HBD 0
HBA 4
Rotatable Bond Count 18
Exact Mass 390.27700969 g/mol
Monoisotopic Mass 390.27700969 g/mol
Heavy Atom Count 28
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 369
xlogp 9.1
Topological Polar Surface Area 52.6