Oxalic acid, allyl tridecyl ester

Compound Structure:

Synonyms:

2-O-prop-2-enyl 1-O-tridecyl oxalate; Oxalic acid, allyl tridecyl ester

Compound ID:

NMPC-1364

PubChem ID:

Molecular Formula:

C18H32O4

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)C(=O)OCC=C

InChIKey:

ABOHRPBSLWQROV-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	312.4 g/mol
XLogP3-AA	7.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	17
Exact Mass	312.23005950 g/mol
Monoisotopic Mass	312.23005950 g/mol
Topological Polar Surface Area	52.6Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	300
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:

Plumbago zeylanica

Download SDF