Phthalic acid, di(oct-3-yl)ester

Phthalic acid, di(oct-3-yl)ester
Compound Structure:
Synonyms: bis(ethylhexyl)phthalate; SCHEMBL913893 ;Phthalic acid, di(oct-3-yl) ester
Compound ID: NMPC-1404
PubChem ID:

15764573
Molecular Formula: C24H38O4
Canonical SMILES: CCCCCC(CC)OC(=O)C1=CC=CC=C1C(=O)OC(CC)CCCCC
InChIKey: JDFWAYHAYKODRR-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

390.6 g/mol

XLogP3

7.8

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

4

Rotatable Bond Count

16

Exact Mass

390.27700969 g/mol

Monoisotopic Mass

390.27700969 g/mol

Topological Polar Surface Area

52.6Ų

Heavy Atom Count

28

Formal Charge

0

Complexity

394

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

2

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                                                                                    
Source Species: Tectona grandis
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