Home Other Building Blocks 2-(2-methylpropyl)hex-5-enoic acid

2-(2-methylpropyl)hex-5-enoic acid

CAS No.:
1521680-52-3
Catalog Number:
AG01EM0N
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
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Product Description
Catalog Number:
AG01EM0N
Chemical Name:
2-(2-methylpropyl)hex-5-enoic acid
CAS Number:
1521680-52-3
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
MDL Number:
MFCD21921867
IUPAC Name:
2-(2-methylpropyl)hex-5-enoic acid
InChI:
InChI=1S/C10H18O2/c1-4-5-6-9(10(11)12)7-8(2)3/h4,8-9H,1,5-7H2,2-3H3,(H,11,12)
InChI Key:
GKIOPTBQHQARRY-UHFFFAOYSA-N
SMILES:
C=CCCC(C(=O)O)CC(C)C
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties