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114046-17-2 | Hexadecanoic acid, 15-methyl-, 3-methyl-2-buten-1-yl ester
CAS No: 114046-17-2 Catalog No: AG000ADO MDL No:
Product Description
Catalog Number:
AG000ADO
Chemical Name:
Hexadecanoic acid, 15-methyl-, 3-methyl-2-buten-1-yl ester
CAS Number:
114046-17-2
Molecular Formula:
C22H42O2
Molecular Weight:
338.5677
IUPAC Name:
3-methylbut-2-enyl 15-methylhexadecanoate
InChI:
InChI=1S/C22H42O2/c1-20(2)16-14-12-10-8-6-5-7-9-11-13-15-17-22(23)24-19-18-21(3)4/h18,20H,5-17,19H2,1-4H3
InChI Key:
KINNLZYDAIJBTR-UHFFFAOYSA-N
SMILES:
CC(CCCCCCCCCCCCCC(=O)OCC=C(C)C)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.318g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.576g/mol
Monoisotopic Mass:
338.318g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
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