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88332-33-6 | Decanoic acid, 1,5-dimethyl-2-(3-methylbutyl)hexyl ester
CAS No: 88332-33-6 Catalog No: AG0047XM MDL No:
Product Description
Catalog Number:
AG0047XM
Chemical Name:
Decanoic acid, 1,5-dimethyl-2-(3-methylbutyl)hexyl ester
CAS Number:
88332-33-6
Molecular Formula:
C23H46O2
Molecular Weight:
354.6101
IUPAC Name:
[6-methyl-3-(3-methylbutyl)heptan-2-yl] decanoate
InChI:
InChI=1S/C23H46O2/c1-7-8-9-10-11-12-13-14-23(24)25-21(6)22(17-15-19(2)3)18-16-20(4)5/h19-22H,7-18H2,1-6H3
InChI Key:
XWFSOWLBYFGJEP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)OC(C(CCC(C)C)CCC(C)C)C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.35g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.619g/mol
Monoisotopic Mass:
354.35g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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