Dioctanoin

CAT: 0926-FD166878-05Size: 2000 mgDry Ice: NoHazardous: No

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CAT#:0926-FD166878-05Size:2000 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

36354-80-0

MDL Number

MFCD00070230

Smiles

CCCCCCCC (=O) OCC (CO) OC (=O) CCCCCCC

Molecular Formula

C19H36O5

Molecular Weight

344.49 g/mol

Controlled

Chemical Information

Glyceryl 1,2-dicaprylate

CAS Number	36354-80-0
PubChem CID	1323
IUPAC Name	(3-hydroxy-2-octanoyloxypropyl) octanoate
Molecular Formula	C19H36O5
Molecular Weight	344.5
XLogP	5.4
Topological Polar Surface Area	72.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	18
Heavy Atom Count	24
Formal Charge	0
Complexity	317

SMILES

CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC

InChI

InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-16-17(15-20)24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3

InChIKey

ZQBULZYTDGUSSK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 36354-80-0

CID: 1323

Formula: C19H36O5

MW: 344.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	344.5
XLogP3	5.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	18
Exact Mass	344.25627424
Monoisotopic Mass	344.25627424
Topological Polar Surface Area	72.8 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	317
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FD179972-01	1,2-Dioctanoyl-sn-glycerol
JEA79658-01	1,3-Dioctanoyl-2-oleoyl glycerol
UAA19191-01	1,2-Dioctanoyl-sn-Glycero-3-Phosphatidylcholine