Trans-pentadec-11-en-15-olide

CAS	111879-80-2
Structure
IUPAC Name	(12E)-1-Oxacyclohexadec-12-en-2-one
Molecular Weight	238.37
Canonical SMILES	C1CCCCC=CCCCOC(=O)CCCC1
InChI	InChI=1S/C15H26O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h6,8H,1-5,7,9-14H2/b8-6+
InChI Key	ZYXGECMFJMLZNA-SOFGYWHQSA-N
Boiling Point	383.7±21.0 °C
Flash Point	>100 °C
Purity	98%+
Density	0.900±0.06 g/cm³
Exact Mass	238.193280068
Isomeric SMILES	C1CCCC/C=C/CCCOC(=O)CCCC1
Monoisotopic Mass	238.193280068
Physical State	Liquid
Refractive Index	n20/D 1.479-1.483(lit.)
Topological Polar Surface Area	26.3 Ų