Dimethyl Dodecanedioate

CAT: 0926-BAA73179-02Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0926-BAA73179-02Size:2.5 g

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CAS Number

1731-79-9

MDL Number

MFCD00043632

Smiles

COC (=O) CCCCCCCCCCC (=O) OC

Molecular Formula

C14H26O4

Molecular Weight

258.36 g/mol

Controlled

Chemical Information

Dimethyl dodecanedioate

CAS Number	1731-79-9
PubChem CID	74415
IUPAC Name	dimethyl dodecanedioate
Molecular Formula	C14H26O4
Molecular Weight	258.35
XLogP	4.1
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	13
Heavy Atom Count	18
Formal Charge	0
Complexity	202

SMILES

COC(=O)CCCCCCCCCCC(=O)OC

InChI

InChI=1S/C14H26O4/c1-17-13(15)11-9-7-5-3-4-6-8-10-12-14(16)18-2/h3-12H2,1-2H3

InChIKey

IZMOTZDBVPMOFE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1731-79-9

CID: 74415

Formula: C14H26O4

MW: 258.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	258.35
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	13
Exact Mass	258.18310931
Monoisotopic Mass	258.18310931
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	202
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
FD62526	Dimethyl Phthalate
FD40109-01	Dimethyl glutarate
FD34694-01	Dimethyl chlorothiophosphate
FD06000	Dimethyl epipodophyllotoxin
HDA49160	Dimethyl Cyclopentylmalonate
FAA01830-01	Dimethyl Methoxymalonate
FD57692	Dimethyl dicarbonate
FD38083	Dimethyl isophthalate
FD34690	Dimethyl carbonate
FD62599-01	Dimethyl Terephthalate

Catalog	Name
1731-79-9	Dimethyl dodecanedioate
OR1061640-01	Dihexyl dodecanedioate
260076-01	Ammonium dodecanedioate
sc-223939	Diethyl dodecanedioate
OR1023572	Bis (2-Ethylhexyl) Dodecanedioate
OR98286	Ammonium-1,10-dodecanedioate
OR1071542-01	1-tert-Butyl 12- (2,5-dioxopyrrolidin-1-yl) dodecanedioate
sc-268930	Dimethyl 2,2-dimethyl-malonate
GTR19203502-01	Chlorthal-dimethyl
GTR19201894	Dimethyl capramide