4-Chloro-2-methyl-1-pentene - CAS 344322-55-0

Technical Data

IUPAC Name:	4-chloro-2-methylpent-1-ene
Description:	4-Chloro-2-methyl-1-pentene is the derivative of 3-Chloro-2-methyl-1-propene (C368130), which has been used in the synthesis of 2-S-substituted pyrimidines as antimetabolites of nucleic acid precursors for cancer therapy.
Molecular Weight:	118.6
Molecular Formula:	C6H11Cl
Canonical SMILES:	CC(CC(=C)C)Cl
InChI:	InChI=1S/C6H11Cl/c1-5(2)4-6(3)7/h6H,1,4H2,2-3H3
InChI Key:	QMGAEEHTHRHYAI-UHFFFAOYSA-N
Solubility:	Chloroform (Soluble), Ethyl Acetate (Slightly)
Appearance:	Colourless Oil
Storage:	-20°C, Inert atmosphere, Light sensitive
References:	Kaldrikyan, M.A., Melik-Ohanjanyan, R.G. Hayastani Kimiakan Handes, 67, 321 (2014).

Complexity:	66.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	118.054928
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	118.054928
Rotatable Bond Count:	2
Topological Polar Surface Area:	0Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3