Elaidic Acid Ethyl-d5 Ester

CAT: 0024-sc-497402Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-497402Size:5 mg

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CAS Number

1217226-00-0

Chemical Information

Ethyl Oleate-d5

CAS Number	1217226-00-0
PubChem CID	71316649
IUPAC Name	1,1,2,2,2-pentadeuterioethyl (Z)-octadec-9-enoate
Molecular Formula	C20H38O2
Molecular Weight	315.5
XLogP	8
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	17
Heavy Atom Count	22
Formal Charge	0
Complexity	258

SMILES

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

InChI

InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11-/i2D3,4D2

InChIKey

LVGKNOAMLMIIKO-FTVHIXGRSA-N

Chemical Structure

2D Structure

CAS: 1217226-00-0

CID: 71316649

Formula: C20H38O2

MW: 315.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	315.5
XLogP3	8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	17
Exact Mass	315.318564180
Monoisotopic Mass	315.318564180
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	258
Isotope Atom Count	5
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-358131	Elaidic acid ethyl ester
sc-488955	Isocapric Acid Ethyl-d5 Ester
sc-501023	Eicosapentaenoic Acid Ethyl-d5 Ester
sc-218844	Metoprolol Acid-d5 Ethyl Ester
sc-487990	γ-Linolenic Acid Ethyl Ester-d5
sc-488389	Isovaleric Acid Ethyl-d5 Ester
sc-481450	Angelic Acid Ethyl-d5 Ester
sc-490430	Hexacosanoic Acid Ethyl Ester-d5
sc-498381	Docosahexaenoic Acid Ethyl-d5 Ester
sc-498581	Erucic Acid Ethyl-d5 Ester

Catalog	Name
TRC-E500212-25MG	Elaidic Acid Ethyl-d5 Ester
TRC-E500210-500MG	Elaidic Acid Ethyl Ester
MBS3920047-01	Elaidic acid-D5
AR-E02349-01	Elaidic acid-methyl ester
448117-01	Elaidic Acid Methyl Ester
TAA32574	Diallylacetic acid ethyl-d5 ester
468555	Valproic Acid Ethyl Ester-d5
468352	Tuberculostearic Acid Ethyl-d5 Ester
466501	Stearidonic Acid Ethyl Ester-d5
453774-01	Linolenic Acid Ethyl Ester-d5