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116121-06-3 | Undecane, 2,4-diethoxy-2-methoxy-6,10-dimethyl-
CAS No: 116121-06-3 Catalog No: AG000BOT MDL No:
Product Description
Catalog Number:
AG000BOT
Chemical Name:
Undecane, 2,4-diethoxy-2-methoxy-6,10-dimethyl-
CAS Number:
116121-06-3
Molecular Formula:
C18H38O3
Molecular Weight:
302.4925
IUPAC Name:
2,4-diethoxy-2-methoxy-6,10-dimethylundecane
InChI:
InChI=1S/C18H38O3/c1-8-20-17(14-18(6,19-7)21-9-2)13-16(5)12-10-11-15(3)4/h15-17H,8-14H2,1-7H3
InChI Key:
JEOCAJSCFOPWCK-UHFFFAOYSA-N
SMILES:
CCOC(CC(OCC)(OC)C)CC(CCCC(C)C)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.282g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.499g/mol
Monoisotopic Mass:
302.282g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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