1-Chloro-5,5,7,7-tetramethyl-2-octene - CAS 141-64-0

Catalog:	BB069803
Product Name:	1-Chloro-5,5,7,7-tetramethyl-2-octene
CAS:	141-64-0
Synonyms:	2-Octene, 1-chloro-5,5,7,7-tetramethyl; 2-Octene, 1-chloro-5,5,7,7-tetramethyl-

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	(E)-1-chloro-5,5,7,7-tetramethyloct-2-ene
Description:	1-Chloro-5,5,7,7-tetramethyl-2-octene is a useful research chemical used as a reactant in the alkylation of aliphatic ketones.
Molecular Weight:	202.76
Molecular Formula:	C12H23Cl
Canonical SMILES:	CC(C)(C)CC(C)(C)CC=CCCl
InChI:	InChI=1S/C12H23Cl/c1-11(2,3)10-12(4,5)8-6-7-9-13/h6-7H,8-10H2,1-5H3/b7-6+
InChI Key:	DVOYYVNTAWFQAV-VOTSOKGWSA-N
References:	Meuly, W., and Gradeff, P. U.S. US 3668255, 11, (1972).

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P301+P317, P330, and P501
Signal Word:	Warning

Complexity:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	202.1488284
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	202.1488284
Rotatable Bond Count:	5
Topological Polar Surface Area:	0Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5