Home Other Building Blocks 3,5,5-Trimethylhexanoyl chloride

3,5,5-Trimethylhexanoyl chloride

CAS No.:
36727-29-4
Catalog Number:
AG003IJM
Molecular Formula:
C9H17ClO
Molecular Weight:
176.6837
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Product Description
Catalog Number:
AG003IJM
Chemical Name:
3,5,5-Trimethylhexanoyl chloride
CAS Number:
36727-29-4
Molecular Formula:
C9H17ClO
Molecular Weight:
176.6837
MDL Number:
MFCD00044028
IUPAC Name:
3,5,5-trimethylhexanoyl chloride
InChI:
InChI=1S/C9H17ClO/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3
InChI Key:
GEKPNPPFAYJZRD-UHFFFAOYSA-N
SMILES:
CC(CC(C)(C)C)CC(=O)Cl
EC Number:
253-168-4
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.097g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.684g/mol
Monoisotopic Mass:
176.097g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties