butyl tetradecyl ester

Compound Structure:

Synonyms:

Phthalic acid, butyl tetradecyl ester;SCHEMBL6401510

Compound ID:

NMPC-700

PubChem ID:

Molecular Formula:

C26H42O4

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC

InChIKey:

UBKBKYQIPBPYHZ-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	418.6 g/mol
XLogP3	10.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	20
Exact Mass	418.30830982 g/mol
Monoisotopic Mass	418.30830982 g/mol
Topological Polar Surface Area	52.6Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	435
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:

Euphorbia hirta

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