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158442-03-6 | Propanoic acid, 2-methyl-, 10,14-dimethylpentadecyl ester
CAS No: 158442-03-6 Catalog No: AG001Q6P MDL No:
Product Description
Catalog Number:
AG001Q6P
Chemical Name:
Propanoic acid, 2-methyl-, 10,14-dimethylpentadecyl ester
CAS Number:
158442-03-6
Molecular Formula:
C21H42O2
Molecular Weight:
326.5570
IUPAC Name:
10,14-dimethylpentadecyl 2-methylpropanoate
InChI:
InChI=1S/C21H42O2/c1-18(2)14-13-16-20(5)15-11-9-7-6-8-10-12-17-23-21(22)19(3)4/h18-20H,6-17H2,1-5H3
InChI Key:
WEUUVFYXSHQOIT-UHFFFAOYSA-N
SMILES:
CC(CCCC(C)C)CCCCCCCCCOC(=O)C(C)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.318g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.565g/mol
Monoisotopic Mass:
326.318g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
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