Phthalic acid, decyl isobutyl ester

Phthalic acid, decyl isobutyl ester
Compound Structure:
Synonyms: Phthalic acid, decyl isobutyl ester ;SCHEMBL6400438
Compound ID: NMPC-1402
PubChem ID:

6423493
Molecular Formula: C22H34O4
Canonical SMILES: CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCC(C)C
InChIKey: WSRIYTPJPRYTKK-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

362.5 g/mol

XLogP3

7.3

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

4

Rotatable Bond Count

15

Exact Mass

362.24570956 g/mol

Monoisotopic Mass

362.24570956 g/mol

Topological Polar Surface Area

52.6Ų

Heavy Atom Count

26

Formal Charge

0

Complexity

392

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: Tetracarpidium conophorum
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