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Home > Other Heterocycles > 191099-30-6
191099-30-6 | 1,7-Dioxaspiro[5.5]undecane, 2-methyl-8-propyl-, (2S,6R,8S)-
CAS No: 191099-30-6 Catalog No: AG002F14 MDL No:
Product Description
Catalog Number:
AG002F14
Chemical Name:
1,7-Dioxaspiro[5.5]undecane, 2-methyl-8-propyl-, (2S,6R,8S)-
CAS Number:
191099-30-6
Molecular Formula:
C13H24O2
Molecular Weight:
212.3285
IUPAC Name:
(2S,6R,8S)-8-methyl-2-propyl-1,7-dioxaspiro[5.5]undecane
InChI:
InChI=1S/C13H24O2/c1-3-6-12-8-5-10-13(15-12)9-4-7-11(2)14-13/h11-12H,3-10H2,1-2H3/t11-,12-,13+/m0/s1
InChI Key:
QXUAOIHBLJZVTQ-RWMBFGLXSA-N
SMILES:
CCC[C@H]1CCC[C@]2(O1)CCC[C@@H](O2)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
212.178g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.333g/mol
Monoisotopic Mass:
212.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Flexible synthesis of enantiomerically pure 2,8-dialkyl-1,7-dioxaspiro[5.5]undecanes and 2,7-dialkyl-1,6-dioxaspiro[4.5]decanes from propargylic and homopropargylic alcohols. | The Journal of organic chemistry 20050415 |
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