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Home > Other Heterocycles > 81841-93-2
81841-93-2 | 1,4-Dioxaspiro[4.5]dec-6-ene, 8-(3-methyl-2-butenyl)-8-(phenylsulfonyl)-
CAS No: 81841-93-2 Catalog No: AG005HTX MDL No:
Product Description
Catalog Number:
AG005HTX
Chemical Name:
1,4-Dioxaspiro[4.5]dec-6-ene, 8-(3-methyl-2-butenyl)-8-(phenylsulfonyl)-
CAS Number:
81841-93-2
Molecular Formula:
C19H24O4S
Molecular Weight:
348.4565
IUPAC Name:
8-(benzenesulfonyl)-8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]dec-6-ene
InChI:
InChI=1S/C19H24O4S/c1-16(2)8-9-18(24(20,21)17-6-4-3-5-7-17)10-12-19(13-11-18)22-14-15-23-19/h3-8,10,12H,9,11,13-15H2,1-2H3
InChI Key:
MWKAUAUFAABBLX-UHFFFAOYSA-N
SMILES:
CC(=CCC1(CCC2(C=C1)OCCO2)S(=O)(=O)c1ccccc1)C
Properties
Complexity:
598
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.14g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.457g/mol
Monoisotopic Mass:
348.14g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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