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131468-89-8 | Cyclobutanebutanenitrile, 3,3-dimethyl-γ-methylene-2-(3-oxobutyl)-, (1S,2R)-
CAS No: 131468-89-8 Catalog No: AG000W8L MDL No:
Product Description
Catalog Number:
AG000W8L
Chemical Name:
Cyclobutanebutanenitrile, 3,3-dimethyl-γ-methylene-2-(3-oxobutyl)-, (1S,2R)-
CAS Number:
131468-89-8
Molecular Formula:
C15H23NO
Molecular Weight:
233.3492
IUPAC Name:
4-[(1S,2R)-3,3-dimethyl-2-(3-oxobutyl)cyclobutyl]pent-4-enenitrile
InChI:
InChI=1S/C15H23NO/c1-11(6-5-9-16)13-10-15(3,4)14(13)8-7-12(2)17/h13-14H,1,5-8,10H2,2-4H3/t13-,14-/m1/s1
InChI Key:
RVBKTOCMDDHDAM-ZIAGYGMSSA-N
SMILES:
N#CCCC(=C)[C@H]1CC([C@@H]1CCC(=O)C)(C)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
233.178g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.355g/mol
Monoisotopic Mass:
233.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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