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Home > Encyclopedia > 1,1′-[2,2-Bis(hydroxymethyl)-1,3-propanediyl] dioctanoate

1,1′-[2,2-Bis(hydroxymethyl)-1,3-propanediyl] dioctanoate

1,1′-[2,2-Bis(hydroxymethyl)-1,3-propanediyl] dioctanoate structure

1,1′-[2,2-Bis(hydroxymethyl)-1,3-propanediyl] dioctanoate 

structure
  • CAS No:

    55680-37-0

  • Formula:

    C21H40O6

  • Chemical Name:

    1,1′-[2,2-Bis(hydroxymethyl)-1,3-propanediyl] dioctanoate

  • Synonyms:

    Octanoic acid,1,1′-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester;Octanoic acid,2,2-bis(hydroxymethyl)-1,3-propanediyl ester;1,1′-[2,2-Bis(hydroxymethyl)-1,3-propanediyl] dioctanoate;Pentaerythritol dicaprylate

1,1′-[2,2-Bis(hydroxymethyl)-1,3-propanediyl] dioctanoate Basic Attributes

388.5387

388.54

259-750-4

94Q38N3U0Y

DTXSID10204198

Characteristics

93.1

4.7

Computed Properties

Molecular Weight:388.5
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:20
Exact Mass:388.28248899
Monoisotopic Mass:388.28248899
Topological Polar Surface Area:93.1
Heavy Atom Count:27
Complexity:347
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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