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20225-32-5 | Pentanoic acid, 2,2-dimethyl-, 2-methylpropyl ester
CAS No: 20225-32-5 Catalog No: AG00285J MDL No:
Product Description
Catalog Number:
AG00285J
Chemical Name:
Pentanoic acid, 2,2-dimethyl-, 2-methylpropyl ester
CAS Number:
20225-32-5
Molecular Formula:
C11H22O2
Molecular Weight:
186.2912
IUPAC Name:
2-methylpropyl 2,2-dimethylpentanoate
InChI:
InChI=1S/C11H22O2/c1-6-7-11(4,5)10(12)13-8-9(2)3/h9H,6-8H2,1-5H3
InChI Key:
ARADQZBHBDYGEX-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)OCC(C)C)(C)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.162g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.295g/mol
Monoisotopic Mass:
186.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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