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Dimethyl octadecanedioate

CAT: 0804-HY-W098047-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W098047-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Dimethyl octadecanedioate (Octadecanedioic acid, dimethyl ester) is an ester product.
CAS Number
1472-93-1
Product Name Alternative
Octadecanedioic acid, dimethyl ester
UNSPSC
12352211
Hazard Statement
H225
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/dimethyl-octadecanedioate.html
Purity
98.0
Smiles
COC(=O)CCCCCCCCCCCCCCCCC(=O)OC
Molecular Formula
C20H38O4
Molecular Weight
342.51
Precautions
H225
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Dimethyl octadecanedioate
CAS Number1472-93-1
PubChem CID566760
IUPAC Namedimethyl octadecanedioate
Molecular FormulaC20H38O4
Molecular Weight342.5
XLogP7.3
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count19
Heavy Atom Count24
Formal Charge0
Complexity272
SMILES
COC(=O)CCCCCCCCCCCCCCCCC(=O)OC
InChI
InChI=1S/C20H38O4/c1-23-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)24-2/h3-18H2,1-2H3
InChIKey
ZOXMHKCFDXHCJX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dimethyl octadecanedioate
CAS: 1472-93-1
CID: 566760
Formula: C20H38O4
MW: 342.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.5
XLogP37.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count19
Exact Mass342.27700969
Monoisotopic Mass342.27700969
Topological Polar Surface Area52.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity272
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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