Phthalic acid, di(2-propylpentyl) ester

Phthalic acid, di(2-propylpentyl) ester
Compound Structure:
Synonyms: Phthalic acid, di(2-propylphenyl) ester
Compound ID: NMPC-1403
PubChem ID:

91739854
Molecular Formula: C26H26O4
Canonical SMILES: CCCC1=CC=CC=C1OC(=O)C2=CC=CC=C2C(=O)OC3=CC=CC=C3CCC
InChIKey: DPXRFHZIYSAEEK-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

402.5 g/mol

XLogP3-AA

7.4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

4

Rotatable Bond Count

10

Exact Mass

402.18310931 g/mol

Monoisotopic Mass

402.18310931 g/mol

Topological Polar Surface Area

52.6Ų

Heavy Atom Count

30

Formal Charge

0

Complexity

497

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

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: Syzygium guineense
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