Home Other Building Blocks ethyl 3,4,4-trimethylpentanoate

ethyl 3,4,4-trimethylpentanoate

CAS No.:
106325-27-3
Catalog Number:
AG01BDFO
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
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Product Description
Catalog Number:
AG01BDFO
Chemical Name:
ethyl 3,4,4-trimethylpentanoate
CAS Number:
106325-27-3
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
MDL Number:
MFCD18892506
IUPAC Name:
ethyl 3,4,4-trimethylpentanoate
InChI:
InChI=1S/C10H20O2/c1-6-12-9(11)7-8(2)10(3,4)5/h8H,6-7H2,1-5H3
InChI Key:
OWFILQFKUKAHSY-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(C(C)(C)C)C
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.146g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.268g/mol
Monoisotopic Mass:
172.146g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties