Ethyl Linoleate-d5

CAT: 0024-sc-497997Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-497997Size:25 mg

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CAS Number

1331665-14-5

Chemical Information

Ethyl Linoleate-d5

CAS Number	1331665-14-5
PubChem CID	71316633
IUPAC Name	1,1,2,2,2-pentadeuterioethyl (9Z,12Z)-octadeca-9,12-dienoate
Molecular Formula	C20H36O2
Molecular Weight	313.5
XLogP	7.3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Heavy Atom Count	22
Formal Charge	0
Complexity	292

SMILES

[2H]C([2H])([2H])C([2H])([2H])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC

InChI

InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3/b9-8-,12-11-/i2D3,4D2

InChIKey

FMMOOAYVCKXGMF-ZISYHAQWSA-N

Chemical Structure

2D Structure

CAS: 1331665-14-5

CID: 71316633

Formula: C20H36O2

MW: 313.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	313.5
XLogP3	7.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Exact Mass	313.302914117
Monoisotopic Mass	313.302914117
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	292
Isotope Atom Count	5
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes