tert-Butyl 5-Iodovalerate - CAS 56198-37-9

Catalog:	BB070954
Product Name:	tert-Butyl 5-Iodovalerate
CAS:	56198-37-9
Synonyms:	TERT-BUTYL 5-IODOPENTANOATE; tert-Butyl5-Iodovalerate; 5-Iodo-pentanoic acid tert-butyl ester; 5-Iodovaleric acid tert-butyl ester; t-butyl 5-iodopentanoate; tert-Butyl 5-iodovalerate

Technical Data

Computed Properties

IUPAC Name:	tert-butyl 5-iodopentanoate
Molecular Weight:	284.13
Molecular Formula:	C9H17IO2
Canonical SMILES:	CC(C)(C)OC(=O)CCCCI
InChI:	InChI=1S/C9H17IO2/c1-9(2,3)12-8(11)6-4-5-7-10/h4-7H2,1-3H3
InChI Key:	MUZIHYJJSZAJSY-UHFFFAOYSA-N
References:	Chen, I., et al. Nat. Methods, 2, 99 (2005).

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Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	284.02733
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	284.02733
Rotatable Bond Count:	6
Topological Polar Surface Area:	26.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2