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192520-40-4 | Pentanoic acid, 4-methyl-1-(1-methylethyl)hexyl ester
CAS No: 192520-40-4 Catalog No: AG002G29 MDL No:
Product Description
Catalog Number:
AG002G29
Chemical Name:
Pentanoic acid, 4-methyl-1-(1-methylethyl)hexyl ester
CAS Number:
192520-40-4
Molecular Formula:
C15H30O2
Molecular Weight:
242.3975
IUPAC Name:
2,6-dimethyloctan-3-yl pentanoate
InChI:
InChI=1S/C15H30O2/c1-6-8-9-15(16)17-14(12(3)4)11-10-13(5)7-2/h12-14H,6-11H2,1-5H3
InChI Key:
LRJDSWDVEKNLDI-UHFFFAOYSA-N
SMILES:
CCCCC(=O)OC(C(C)C)CCC(CC)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.225g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.403g/mol
Monoisotopic Mass:
242.225g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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