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Home > Other Heterocycles > 88664-45-3
88664-45-3 | 1,8-Dioxaspiro[4.5]decane, 2-ethyl-2-[(phenylmethoxy)methyl]-
CAS No: 88664-45-3 Catalog No: AG0048DI MDL No:
Product Description
Catalog Number:
AG0048DI
Chemical Name:
1,8-Dioxaspiro[4.5]decane, 2-ethyl-2-[(phenylmethoxy)methyl]-
CAS Number:
88664-45-3
Molecular Formula:
C18H26O3
Molecular Weight:
290.3972
IUPAC Name:
2-ethyl-2-(phenylmethoxymethyl)-1,8-dioxaspiro[4.5]decane
InChI:
InChI=1S/C18H26O3/c1-2-17(15-20-14-16-6-4-3-5-7-16)8-9-18(21-17)10-12-19-13-11-18/h3-7H,2,8-15H2,1H3
InChI Key:
XPFXSYDQOIWVGO-UHFFFAOYSA-N
SMILES:
CCC1(COCc2ccccc2)CCC2(O1)CCOCC2
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.188g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.403g/mol
Monoisotopic Mass:
290.188g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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