Di-n-octyl sebacate

CAT: 0024-sc-353204ASize: 100 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-353204ASize:100 mL

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CAS Number

14491-66-8

Chemical Information

Dicapryl Succinate

CAS Number	14491-66-8
PubChem CID	84475
IUPAC Name	dioctyl butanedioate
Molecular Formula	C20H38O4
Molecular Weight	342.5
XLogP	6.7
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	19
Heavy Atom Count	24
Formal Charge	0
Complexity	272

SMILES

CCCCCCCCOC(=O)CCC(=O)OCCCCCCCC

InChI

InChI=1S/C20H38O4/c1-3-5-7-9-11-13-17-23-19(21)15-16-20(22)24-18-14-12-10-8-6-4-2/h3-18H2,1-2H3

InChIKey

KWABLUYIOFEZOY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14491-66-8

CID: 84475

Formula: C20H38O4

MW: 342.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	342.5
XLogP3	6.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	19
Exact Mass	342.27700969
Monoisotopic Mass	342.27700969
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	272
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-294287	Di-n-octyl Sulfone
sc-257308	Di-n-octyl phthalate
sc-487664	Di-n-octyl Sulfoxide
sc-257308B	Di-n-octyl phthalate
sc-257308A	Di-n-octyl phthalate
sc-219289	N, N'-Di-n-octyl-3,3'-dithiodipropionamide
sc-219288	N, N'-Di- (n-octyl-d17) -3,3'-dithiodipropionamide
sc-485021	Di-tert-octyl Disulfide
sc-485889	N, N-Di-n-octyl-3-oxapentanedioic Acid Monoamide
sc-485244	2,2-Di-n-octyl-1,3-propanediol

Catalog	Name
S5580-01	Di-n-octyl Sebacate
D12188-01	Di-N-butyl sebacate Tech. Grade
01068 00500	Dioctyl Sebacate 98% For Synthesis [Di (2-ethylhexyl) Sebacate]
D23240-01	Di (2-ethylhexyl) sebacate Tech. Grade
FD28815-01	Di-n-octyl sulfide
GTR19168631-01	DI-N-OCTYL PHTHALATE
274664-01	Di-n-octyl Sulfone
T20064	Di-n-octyl adipate
TRC-D481752-10MG	Di-n-octyl Phthalate-d4