Octadeca-10,12-dienoic acid

CAT: 0127-OR1072714-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1072714-01Size:250 mg

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CAS Number

22880-03-1

Purity

95%

Smiles

CCCCCC=CC=CCCCCCCCCC(O)=O

Chemical Information

10,12-Octadecadienoic acid

Octadeca-10,12-dienoic acid is a conjugated linoleic acid having double bonds at positions 10 and 12.

CAS Number	22880-03-1
PubChem CID	5282801
IUPAC Name	(10E,12E)-octadeca-10,12-dienoic acid
Molecular Formula	C18H32O2
Molecular Weight	280.4
XLogP	7.1
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	14
Heavy Atom Count	20
Formal Charge	0
Complexity	267

SMILES

CCCCC/C=C/C=C/CCCCCCCCC(=O)O

InChI

InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6+,9-8+

InChIKey

GKJZMAHZJGSBKD-BLHCBFLLSA-N

Chemical Structure

2D Structure

CAS: 22880-03-1

CID: 5282801

Formula: C18H32O2

MW: 280.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	280.4
XLogP3	7.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	14
Exact Mass	280.240230259
Monoisotopic Mass	280.240230259
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	267
Isotope Atom Count	0
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

Catalog	Name
OR1066741-01	(10Z,13Z) -Nonadeca-10,13-dienoic acid
BUP11133-01	10,12-Tricosadiynoic acid
OR1077451	10,12-Heptadecadiynoic Acid
OR1024403-01	10,12-Heptacosadiynoic Acid
OR1077450	10,12-Nonacosadiynoic Acid
OR1103045-01	10,12-Docosadiynedioic acid
OR1008305-01	(9Z,12Z) -Octadeca-9,12-Dienamide
OR1014580	Penta-2,4-Dienoic Acid
OR1008304-01	(9Z,12Z) -Methyl Octadeca-9,12-Dienoate
OR1047826-01	(9Z,12Z) -Dodecyl octadeca-9,12-dienoate

Catalog	Name
HY-116538-01	(10E,12Z) -Octadeca-10,12-dienoic acid
HY-116538R	(10E,12Z)-Octadeca-10,12-dienoic acid (Standard)
TRC-O338015-250MG	(9Z,12E)-Octadeca-9,12-dienoic Acid
TRC-E338005-250MG	(9E,12E)-Octadeca-9,12-dienoic Acid
TN5835-01	9-Oxooctadeca-10,12-dienoic acid
MBS5825212	(2E,9Z)-Octadeca-2,9-dienoic acid
GTR19217976-01	(2E,9Z) -Octadeca-2,9-dienoic acid
GTR19272267-01	(8E,10E) -12-oxotrideca-8,10-dienoic acid
GTR19278832-01	(10E,12E) -9-methoxyoctadeca-10,12-dienoic acid
GTR19271104-01	(10E,12E) -9-hydroxyoctadeca-10,12-dienoic acid