CAS 180-84-7 | 1,7-Dioxaspiro[5.5]Undecane | CAS Number 180-84-7

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180-84-7 | 1,7-Dioxaspiro[5.5]Undecane

CAS No: 180-84-7 Catalog No: AG0021KI MDL No:

Product Description

Catalog Number:

AG0021KI

Chemical Name:

1,7-Dioxaspiro[5.5]Undecane

CAS Number:

180-84-7

Molecular Formula:

C9H16O2

Molecular Weight:

156.2221

IUPAC Name:

1,7-dioxaspiro[5.5]undecane

InChI:

InChI=1S/C9H16O2/c1-3-7-10-9(5-1)6-2-4-8-11-9/h1-8H2

InChI Key:

GBBVHDGKDQAEOT-UHFFFAOYSA-N

SMILES:

C1CCC2(OC1)CCCCO2

EC Number:

205-870-7

UNII:

KHI3QEQ4ZJ

Properties

Complexity:

118

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

156.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

156.225g/mol

Monoisotopic Mass:

156.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

18.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Analyzing diurnal and age-related pheromone emission of the olive fruit fly, Bactrocera oleae by sequential SPME-GCMS analysis.	Journal of chemical ecology 20120801
(Z)-9-tricosene identified in rectal gland extracts of Bactrocera oleae males: first evidence of a male-produced female attractant in olive fruit fly.	Die Naturwissenschaften 20120101
Efficacy of new mass-trapping devices against Bactrocera oleae (Diptera tephritidae) for minimizing pesticide input in agroecosystems.	Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes 20090601
Energetics of oxaspirocycle prototypes: 1,7-dioxaspiro[5.5]undecane and 1,7,9-trioxadispiro[5.1.5.3]hexadecane.	The Journal of organic chemistry 20061124
Spiroacetal biosynthesis: (+/-)-1,7-dioxaspiro[5.5]undecane in Bactrocera cacuminata and Bactrocera oleae (Olive Fruit Fly).	Organic letters 20050317
Synthesis of haptens and development of an immunoassay for the olive fruit fly pheromone.	Journal of agricultural and food chemistry 20040714
[(18)O]-oxygen incorporation reveals novel pathways in spiroacetal biosynthesis by Bactrocera cacuminata and B. cucumis.	Journal of the American Chemical Society 20020703
Sex pheromone biosynthesis in the female olive fruit-fly. Double labelling from [18O2]-dioxygen into 1,7-dioxaspiro[5.5]undecane.	Chemical communications (Cambridge, England) 20020621
Combinatorial synthesis of natural product-like molecules using a first-generation spiroketal scaffold.	Journal of combinatorial chemistry 20020101
Non-covalent interactions in the crystallization of the enantiomers of 1,7-dioxaspiro.	Acta crystallographica. Section B, Structural science 20010601