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86254-73-1 | 1-Octen-3-ol, 1-[(1,1-dimethylethyl)thio]-, (Z)-
CAS No: 86254-73-1 Catalog No: AG004JR9 MDL No:
Product Description
Catalog Number:
AG004JR9
Chemical Name:
1-Octen-3-ol, 1-[(1,1-dimethylethyl)thio]-, (Z)-
CAS Number:
86254-73-1
Molecular Formula:
C12H24OS
Molecular Weight:
216.3834
IUPAC Name:
1-tert-butylsulfanyloct-1-en-3-ol
InChI:
InChI=1S/C12H24OS/c1-5-6-7-8-11(13)9-10-14-12(2,3)4/h9-11,13H,5-8H2,1-4H3
InChI Key:
DSQBXBONHHMTOP-UHFFFAOYSA-N
SMILES:
CCCCCC(/C=C\SC(C)(C)C)O
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.155g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.383g/mol
Monoisotopic Mass:
216.155g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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