Methyl (E,E,Z)-2,4,6-Decatrienoate - CAS 51544-64-0

Catalog:	BB054003
Product Name:	Methyl (E,E,Z)-2,4,6-Decatrienoate
CAS:	51544-64-0
Synonyms:	(2E,4E,6Z)-2,4,6-Decatrienoic Acid Methyl Ester; (E,E,Z)-2,4,6-Decatrienoic Acid Methyl Ester; (2E,4E,6Z)-Methyl deca-2,4,6-trienoate; Methyl (2E,4E,6Z)-2,4,6-decatrienoate

Technical Data

Computed Properties

IUPAC Name:	methyl (2E,4E,6Z)-deca-2,4,6-trienoate
Molecular Weight:	180.24
Molecular Formula:	C11H16O2
Canonical SMILES:	CCCC=CC=CC=CC(=O)OC
InChI:	InChI=1S/C11H16O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h5-10H,3-4H2,1-2H3/b6-5-,8-7+,10-9+
InChI Key:	DLNQRJFVXCCDKL-WJTNUVGISA-N
Boiling Point:	257.5±9.0°C at 760 mmHg
Purity:	≥95%
Density:	0.926±0.06 g/cm3 (Predicted)
Solubility:	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance:	Colorless Oily Liquid

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Related Functional Groups

Alkenes

[64437-48-5]
(Z)-10-Hexadecenol
[62972-93-4]
(Z)-11-Octadecen-1-ol
[116-04-1]
β-Humulene
[99828-63-4]
12-Bromododecene
[692278-80-1]
3-Allyl-1-(4-ethoxyphenyl)-2-thioxoimidazolidin-4-one
[828299-73-6]
3-Allyl-1-(4-methoxyphenyl)-2-thioxoimidazolidin-4-one

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[17746-05-3]
Undecanoyl chloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

Complexity:	212
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	3
Exact Mass:	180.115029749
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	180.115029749
Rotatable Bond Count:	6
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2