Hexanedioic acid, bis(2-ethylhexyl)ester

Compound Structure:

Synonyms:

Bis[(2S)-2-ethylhexyl] hexanedioate; Hexanedioic acid, bis(2-ethylhexyl) ester

Compound ID:

NMPC-1125

PubChem ID:

Molecular Formula:

C22H42O4

Canonical SMILES:

CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC

InChIKey:

SAOKZLXYCUGLFA-PMACEKPBSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	370.6 g/mol
XLogP3-AA	6.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	19
Exact Mass	370.30830982 g/mol
Monoisotopic Mass	370.30830982 g/mol
Topological Polar Surface Area	52.6Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	320
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Colocasia esculenta

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