Dimethyl brassylate

CAT: 0024-sc-227889Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-227889Size:5 g

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CAS Number

1472-87-3

Chemical Information

Dimethyl brassylate

CAS Number	1472-87-3
PubChem CID	15120
IUPAC Name	dimethyl tridecanedioate
Molecular Formula	C15H28O4
Molecular Weight	272.38
XLogP	4.6
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	14
Heavy Atom Count	19
Formal Charge	0
Complexity	214

SMILES

COC(=O)CCCCCCCCCCCC(=O)OC

InChI

InChI=1S/C15H28O4/c1-18-14(16)12-10-8-6-4-3-5-7-9-11-13-15(17)19-2/h3-13H2,1-2H3

InChIKey

WWSBQOYADFGDQE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1472-87-3

CID: 15120

Formula: C15H28O4

MW: 272.38

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	272.38
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	14
Exact Mass	272.19875937
Monoisotopic Mass	272.19875937
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	214
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

Catalog	Name
sc-486499	Ethylene Glycol Brassylate
sc-268930	Dimethyl 2,2-dimethyl-malonate
sc-496643	Dimethyl Isopropylidenemalonate
sc-326855A	Dimethyl difluoromalonate
sc-285438A	Dimethyl hexadecafluorosebacate
sc-223945	Dimethyl acetylsuccinate
sc-474838	Dimethyl Tetradecanedioate
sc-263093	Dimethyl pyridineboronate
sc-285440A	Dimethyl tetradecafluoroazelate
sc-255106	Dimethyl glutarate

Catalog	Name
HY-W011637-01	Methyl brassylate
OR1013271-01	Ethylene brassylate
E08250-01	Ethylene brassylate 97%
FD62526	Dimethyl Phthalate
FD40109-01	Dimethyl glutarate
FD34694-01	Dimethyl chlorothiophosphate
FD06000	Dimethyl epipodophyllotoxin
BAA73179-01	Dimethyl Dodecanedioate
HDA49160	Dimethyl Cyclopentylmalonate
FAA01830-01	Dimethyl Methoxymalonate