Methyl tetracosanoate

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CAS Number

2442-49-1

Smiles

CCCCCCCCCCCCCCCCCCCCCCCC (=O) OC

Chemical Information

Methyl tetracosanoate

Methyl tetracosanoate is a fatty acid methyl ester.

CAS Number	2442-49-1
PubChem CID	75546
IUPAC Name	methyl tetracosanoate
Molecular Formula	C25H50O2
Molecular Weight	382.7
XLogP	12.3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	23
Heavy Atom Count	27
Formal Charge	0
Complexity	288

SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC

InChI

InChI=1S/C25H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h3-24H2,1-2H3

InChIKey

XUDJZDNUVZHSKZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2442-49-1

CID: 75546

Formula: C25H50O2

MW: 382.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	382.7
XLogP3	12.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	23
Exact Mass	382.381080833
Monoisotopic Mass	382.381080833
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	288
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

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Catalog	Name
T7986	Methyl tetracosanoate
HY-N8438S	Methyl tetracosanoate-d4
sc-483982	Methyl Tetracosanoate-D3
AR-F01140-01	Methyl Tetracosanoate (Methyl Lignocerate)
HY-N8438R	Methyl tetracosanoate (Standard)
MBS393840	Methyl Tetracosanoate (3,3,5,5-D4)
GTR19279084-01	Methyl 3,15,23-tris ({[3,4,5-trihydroxy-6- (hydroxymethyl) oxan-2-yl]oxy}) tetracosanoate
GTR19271220-01	Methyl 23-hydroxy-3,17-bis ({[3,4,5-trihydroxy-6- (hydroxymethyl) oxan-2-yl]oxy}) tetracosanoate
MBS392813-01	Ethyl Tetracosanoate
T123820-01	3- (4-Hydroxy-3-methoxyphenyl) propyl tetracosanoate