200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 87569-07-1
87569-07-1 | 4-Octyn-3-one, 2,2,6,7,7-pentamethyl-, (S)-
CAS No: 87569-07-1 Catalog No: AG004MDZ MDL No:
Product Description
Catalog Number:
AG004MDZ
Chemical Name:
4-Octyn-3-one, 2,2,6,7,7-pentamethyl-, (S)-
CAS Number:
87569-07-1
Molecular Formula:
C13H22O
Molecular Weight:
194.3132
IUPAC Name:
(6S)-2,2,6,7,7-pentamethyloct-4-yn-3-one
InChI:
InChI=1S/C13H22O/c1-10(12(2,3)4)8-9-11(14)13(5,6)7/h10H,1-7H3/t10-/m1/s1
InChI Key:
ZGAPLHUCIJACKN-SNVBAGLBSA-N
SMILES:
C[C@@H](C(C)(C)C)C#CC(=O)C(C)(C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
194.167g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.318g/mol
Monoisotopic Mass:
194.167g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.