CAS 180-43-8 | SPIRO[5.5]UNDECANE | CAS Number 180-43-8

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180-43-8 | SPIRO[5.5]UNDECANE

CAS No: 180-43-8 Catalog No: AG0021KP MDL No:

Product Description

Catalog Number:

AG0021KP

Chemical Name:

SPIRO[5.5]UNDECANE

CAS Number:

180-43-8

Molecular Formula:

C11H20

Molecular Weight:

152.2765

IUPAC Name:

spiro[5.5]undecane

InChI:

InChI=1S/C11H20/c1-3-7-11(8-4-1)9-5-2-6-10-11/h1-10H2

InChI Key:

NECLQTPQJZSWOE-UHFFFAOYSA-N

SMILES:

C1CCC2(CC1)CCCCC2

NSC Number:

106192

Properties

Complexity:

94.5

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

152.157g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

152.281g/mol

Monoisotopic Mass:

152.157g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.3

Literature

Title	Journal
Stretch effects induced by molecular strain on weakening σ-bonds: molecular design of long-lived diradicals (biradicals).	The Journal of organic chemistry 20120907
3,9-Dichloro-2,4,8,10-tetra-oxa-3,9-di-phosphaspiro-[5.5]undecane-3,9-dione.	Acta crystallographica. Section E, Structure reports online 20101101
Relative acidities and structure analysis of cis and trans isomers of 1,5-oxazaspiro[5.5] undecane derivatives by multinuclear magnetic resonance.	Magnetic resonance in chemistry : MRC 20100501
2,4,8,10-Tetra-oxa-3,9-dithia-spiro-[5.5]undecane 3,9-dioxide.	Acta crystallographica. Section E, Structure reports online 20090101
Synthesis and biological activity of 22-oxa CD-ring modified analogues of 1alpha,25-dihydroxyvitamin D3: spiro[5.5]undecane CF-ring analogues.	Bioorganic & medicinal chemistry letters 20040802
Non-empirical calculations of NMR indirect carbon-carbon coupling constants. Part 7--spiroalkanes.	Magnetic resonance in chemistry : MRC 20040601
Synthesis of new chiral bis(isoxazoline) ligands containing spiro[5.5]undecane skeleton.	Chirality 20030101
Two natural products from the algae Laurencia scoparia.	Acta crystallographica. Section C, Crystal structure communications 20010301