Oxacycloheptadec-10-en-2-one

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Catalog Number
ACM28645514
Product Name
Oxacycloheptadec-10-en-2-one
Structure
Structure
CAS
28645-51-4
Category
Heterocyclic Organic Compound
Synonyms
9-Hexadecenoic acid, 16-hydroxy-, o-lactone
IUPAC Name
(10Z)-1-Oxacycloheptadec-10-en-2-one
Molecular Weight
252.39
Molecular Formula
C16H28O2
Canonical SMILES
C1CCCC=CCCCCCCOC(=O)CCC1
InChI
InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1,3H,2,4-15H2/b3-1-
InChI Key
QILMAYXCYBTEDM-IWQZZHSRSA-N
Boiling Point
185-190 °C
Flash Point
>230 °F
Density
0.956 g/mL at 25 °C(lit.)
Solubility
Soluble in non-polar solvents; insoluble in water
Exact Mass
252.208930132
Isomeric SMILES
C1CCC/C=C\CCCCCCOC(=O)CCC1
Monoisotopic Mass
252.208930132
Odor
Sweet musky fruity aroma
Physical State
Liquid
Refractive Index
n20/D 1.479(lit.)
Topological Polar Surface Area
26.3 Ų
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