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Home > Other Heterocycles > 437716-35-3
437716-35-3 | 1,4-Dioxaspiro[4.5]decane, 8-[4-(1,3-dithian-2-ylidene)cyclohexyl]-
CAS No: 437716-35-3 Catalog No: AG00734I MDL No:
Product Description
Catalog Number:
AG00734I
Chemical Name:
1,4-Dioxaspiro[4.5]decane, 8-[4-(1,3-dithian-2-ylidene)cyclohexyl]-
CAS Number:
437716-35-3
Molecular Formula:
C18H28O2S2
Molecular Weight:
340.5437
IUPAC Name:
8-[4-(1,3-dithian-2-ylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane
InChI:
InChI=1S/C18H28O2S2/c1-12-21-17(22-13-1)16-4-2-14(3-5-16)15-6-8-18(9-7-15)19-10-11-20-18/h14-15H,1-13H2
InChI Key:
AKJFPXHWNBAKLK-UHFFFAOYSA-N
SMILES:
C1CSC(=C2CCC(CC2)C2CCC3(CC2)OCCO3)SC1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.153g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.54g/mol
Monoisotopic Mass:
340.153g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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