Methyl (E)-3-Cyclopentylprop-2-enoate - CAS 136823-41-1

Catalog:	BB076235
Product Name:	Methyl (E)-3-Cyclopentylprop-2-enoate
CAS:	136823-41-1
Synonyms:	Methyl (2E)-3-Cyclopentyl-2-propenoate; (E)-3-Cyclopentyl-,2-propenoic Acid Methyl Ester; (2E)-(E)-3-Cyclopentyl-,2-propenoic Acid Methyl Ester

Technical Data

IUPAC Name:	methyl (E)-3-cyclopentylprop-2-enoate
Description:	methyl (E)-3-cyclopentylprop-2-enoate (cas# 136823-41-1) is a useful research chemical. It is used in the preparation of azepanes, azocanes and related compounds as GPR43 modulators useful in the treatment of inflammatory, gastrointestinal and metabolic disorders.
Molecular Weight:	154.2
Molecular Formula:	C9H14O2
Canonical SMILES:	COC(=O)C=CC1CCCC1
InChI:	InChI=1S/C9H14O2/c1-11-9(10)7-6-8-4-2-3-5-8/h6-8H,2-5H2,1H3/b7-6+
InChI Key:	DKBNVGOWHNOALZ-VOTSOKGWSA-N
References:	Hoveyda, H., et al. PCT Int. Appl. (2011), WO 2011151436 A2 20111208.

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	154.099379685
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	154.099379685
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6