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Home > Other Heterocycles > 918647-73-1
918647-73-1 | 7-Oxabicyclo[4.1.0]heptane, 3-[2-(dodecylthio)ethyl]-
CAS No: 918647-73-1 Catalog No: AG006CJ1 MDL No:
Product Description
Catalog Number:
AG006CJ1
Chemical Name:
7-Oxabicyclo[4.1.0]heptane, 3-[2-(dodecylthio)ethyl]-
CAS Number:
918647-73-1
Molecular Formula:
C20H38OS
Molecular Weight:
326.5801
IUPAC Name:
3-(2-dodecylsulfanylethyl)-7-oxabicyclo[4.1.0]heptane
InChI:
InChI=1S/C20H38OS/c1-2-3-4-5-6-7-8-9-10-11-15-22-16-14-18-12-13-19-20(17-18)21-19/h18-20H,2-17H2,1H3
InChI Key:
MBFMUVMLATWVLN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSCCC1CCC2C(C1)O2
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.264g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.583g/mol
Monoisotopic Mass:
326.264g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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