Butyl Octyl ester

Butyl Octyl ester
Compound Structure:
Synonyms: Butyl octyl phthalate;84-78-6;Plasticizer OBP;Staflex BOP;Octyl butyl phthalate;Plasticizer BOP;Truflex OBP;1,2-Benzenedicarboxylic acid, butyl octyl ester;PX 914;Phthalic acid, butyl octyl ester;NSC 69894;1-O-butyl 2-O-octyl benzene-1,2-dicarboxylate
Compound ID: NMPC-699
PubChem ID:

66540
Molecular Formula: C20H30O4
Canonical SMILES: CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
InChIKey: MURWRBWZIMXKGC-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

334.4 g/mol

XLogP3

6.9

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

4

Rotatable Bond Count

14

Exact Mass

334.21440943 g/mol

Monoisotopic Mass

334.21440943 g/mol

Topological Polar Surface Area

52.6Ų

Heavy Atom Count

24

Formal Charge

0

Complexity

354

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: Vernonia colorata
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