Ambrettolide

CAS	123-69-3
Synonyms	Oxacycloheptadec-8-en-2-one
IUPAC Name	(8Z)-1-Oxacycloheptadec-8-en-2-one
Molecular Weight	252.39
Canonical SMILES	C1CCCCOC(=O)CCCCCC=CCCC1
InChI	InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h2,4H,1,3,5-15H2/b4-2-
InChI Key	NVIPUOMWGQAOIT-RQOWECAXSA-N
Boiling Point	355.57 °C
Purity	95%+
Density	0.9615 g/mL at 25 °C(lit.)
Exact Mass	252.208930132
Isomeric SMILES	C1CCCCOC(=O)CCCCC/C=C\CCC1
Monoisotopic Mass	252.208930132
Refractive Index	n20/D 1.600(lit.)
Topological Polar Surface Area	26.3 Ų