Home Other Building Blocks 3-isopropyl-4-methylpentan-2-one

3-isopropyl-4-methylpentan-2-one

CAS No.:
35367-59-0
Catalog Number:
AG01BKE5
Molecular Formula:
C9H18O
Molecular Weight:
142.2386
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Product Description
Catalog Number:
AG01BKE5
Chemical Name:
3-isopropyl-4-methylpentan-2-one
CAS Number:
35367-59-0
Molecular Formula:
C9H18O
Molecular Weight:
142.2386
MDL Number:
MFCD21924130
IUPAC Name:
4-methyl-3-propan-2-ylpentan-2-one
InChI:
InChI=1S/C9H18O/c1-6(2)9(7(3)4)8(5)10/h6-7,9H,1-5H3
InChI Key:
YLJJHNOCQAERGL-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)C)C(C)C)C
Properties
Complexity:
106  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.136g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.242g/mol
Monoisotopic Mass:
142.136g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties