200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 95110-49-9
95110-49-9 | 1-Oxaspiro[2.5]octane, 2-cyclohexyl-2-(phenylsulfinyl)-
CAS No: 95110-49-9 Catalog No: AG0066HR MDL No:
Product Description
Catalog Number:
AG0066HR
Chemical Name:
1-Oxaspiro[2.5]octane, 2-cyclohexyl-2-(phenylsulfinyl)-
CAS Number:
95110-49-9
Molecular Formula:
C19H26O2S
Molecular Weight:
318.4735
IUPAC Name:
2-(benzenesulfinyl)-2-cyclohexyl-1-oxaspiro[2.5]octane
InChI:
InChI=1S/C19H26O2S/c20-22(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)18(21-19)14-8-3-9-15-18/h2,6-7,12-13,16H,1,3-5,8-11,14-15H2
InChI Key:
HSNFEARSMLWJGR-UHFFFAOYSA-N
SMILES:
O=S(C1(OC21CCCCC2)C1CCCCC1)c1ccccc1
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.165g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.475g/mol
Monoisotopic Mass:
318.165g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Related Products
© 2019 Angene International Limited. All rights Reserved.