1-Iodotriacontane - CAS 62154-82-9

Technical Data

IUPAC Name:	1-iodotriacontane
Description:	1-Iodotriacontane is an intermediate in the synthesis of 1-Tetratriacontanol (T306480). 1-Tetratriacontanol is a fatty alcohol that is categorized under the class of policosanols(PC). Studies show that it is also found in rice hulls with potential use as a herbicidal agent.
Molecular Weight:	548.71
Molecular Formula:	C30H61I
Canonical SMILES:	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCI
InChI:	InChI=1S/C30H61I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h2-30H2,1H3
InChI Key:	WPPHWXZEMRXEHC-UHFFFAOYSA-N
Solubility:	Chloroform; Dichloromethane; Hexane
Appearance:	White Solid
References:	Marinangeli, C.P. et al. Br. J. Nutrit., 97, 381 (2007); Chung, I. et al. J. Chem. Eco., 31, 1339 (2005).

Complexity:	288
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	548.3818
Formal Charge:	0
Heavy Atom Count:	31
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	548.3818
Rotatable Bond Count:	28
Topological Polar Surface Area:	0Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	17.2