5-(10-Bromodecyl)-2,3-dimethyl-2,5-cyclohexadiene-1,4-dione - CAS 128209-65-4

Catalog:	BB072255
Product Name:	5-(10-Bromodecyl)-2,3-dimethyl-2,5-cyclohexadiene-1,4-dione
CAS:	128209-65-4
Synonyms:	5-(10-Bromodecyl)-2,3-dimethylcyclohexa-2,5-diene-1,4-dione; 5-(10-Bromodecyl)-2,3-dimethyl-2,5-cyclohexadiene-1,4-dione; 2,5-Cyclohexadiene-1,4-dione, 5-(10-bromodecyl)-2,3-dimethyl-

Technical Data

IUPAC Name:	5-(10-bromodecyl)-2,3-dimethylcyclohexa-2,5-diene-1,4-dione
Description:	5-(10-Bromodecyl)-2,3-dimethyl-2,5-cyclohexadiene-1,4-dione is an intermediate in the synthesis of Plastoquinone derivatives with different structures of the side chain.
Molecular Weight:	355.31
Molecular Formula:	C18H27BrO2
Canonical SMILES:	CC1=C(C(=O)C(=CC1=O)CCCCCCCCCCBr)C
InChI:	InChI=1S/C18H27BrO2/c1-14-15(2)18(21)16(13-17(14)20)11-9-7-5-3-4-6-8-10-12-19/h13H,3-12H2,1-2H3
InChI Key:	CJTVWCISWNOGQA-UHFFFAOYSA-N
Solubility:	DCM
Appearance:	Yellow Semi-Solid
References:	Liu, B., et al. Recueil des Travaux Chimiques des Pays-Bas., 110, 104 (1991).

Complexity:	433
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	354.11944
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	354.11944
Rotatable Bond Count:	10
Topological Polar Surface Area:	34.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.4