(E,E)-Farnesol Benzyl Ether - CAS 56506-81-1

Catalog:	BB065378
Product Name:	(E,E)-Farnesol Benzyl Ether
CAS:	56506-81-1
Synonyms:	[[[(2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-yl]oxy]methyl]-benzene

Technical Data

IUPAC Name:	[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]methylbenzene
Description:	Terpene derivative, used in the preparation of coenzymes Q, vitamin K and polyprenylquinones.
Molecular Weight:	312.49
Molecular Formula:	C27H32O
Canonical SMILES:	CC(=CCCC(=CCCC(=CCOCC1=CC=CC=C1)C)C)C
InChI:	InChI=1S/C22H32O/c1-19(2)10-8-11-20(3)12-9-13-21(4)16-17-23-18-22-14-6-5-7-15-22/h5-7,10,12,14-16H,8-9,11,13,17-18H2,1-4H3/b20-12+,21-16+
InChI Key:	JOBLEVIKIVYYCH-FJNYLYSMSA-N
Solubility:	Chloroform, Dichloromethane, Ethyl Acetate, Methanol
Appearance:	Colorless Oil
Storage:	-20°C, Inert atmosphere, Light sensitive
References:	Yamada, Y. et al. Appl. Environ. Microbiol., 49., 960 (1985).

Complexity:	390
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	2
Exact Mass:	312.24531564
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	312.24531564
Rotatable Bond Count:	10
Topological Polar Surface Area:	9.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.8