1-Acetylcyclododecene - CAS 65938-08-1

Catalog:	BB054846
Product Name:	1-Acetylcyclododecene
CAS:	65938-08-1
Synonyms:	1-(1-Cyclododecen-1-yl)ethanone; 1-Acetyl-1-cyclododecene; 1-Cyclododecen-1-yl Methyl Ketone; 1-Cyclododecenyl Methyl Ketone

Technical Data

IUPAC Name:	1-[(1E)-cyclododecen-1-yl]ethanone
Description:	1-Acetylcyclododecene is an intermediate in the synthesis of 3-Methyl-5-pentyl-2-furanundecanoic Acid which is also known as F5 furan fatty acid. Furan fatty acids are generated in large amounts in algae and fish, but they are also produced by plants and microorganisms. Furan fatty acids are known to exhibit radical-scavenging ability and anti-inflammatory properties.
Molecular Weight:	208.34
Molecular Formula:	C14H24O
Canonical SMILES:	CC(=O)C1=CCCCCCCCCCC1
InChI:	InChI=1S/C14H24O/c1-13(15)14-11-9-7-5-3-2-4-6-8-10-12-14/h11H,2-10,12H2,1H3/b14-11+
InChI Key:	MLCBOXBUBJRZHC-SDNWHVSQSA-N
Solubility:	Chloroform, Dichloromethane, Methanol
Appearance:	Light Yellow Oil
Storage:	-20°C
References:	Alberti, F., et al. Prog. Nut., 11, 154 (2009); Spiteller, G., et al. Lipids., 40, 75 (2005); Wakimoto, T., et al. PNSA., 108, 17533 (2011).

Complexity:	215
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	208.182715385
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	208.182715385
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.1