Cyclobutyl tridecyl ester

Compound Structure:

Synonyms:

2-O-cyclobutyl 1-O-tridecyl oxalate; Cyclobutyl tridecyl ester

Compound ID:

NMPC-908

PubChem ID:

Molecular Formula:

C19H34O4

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)C(=O)OC1CCC1

InChIKey:

PEQWXHAQGOIBCE-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	326.5 g/mol
XLogP3-AA	7.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	16
Exact Mass	326.24570956 g/mol
Monoisotopic Mass	326.24570956 g/mol
Topological Polar Surface Area	52.6Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	323
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:

Laggera aurita

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