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121587-78-8 | 1-Dodecyne, 12-(1,1-dimethylethoxy)-
CAS No: 121587-78-8 Catalog No: AG0015C9 MDL No:
Product Description
Catalog Number:
AG0015C9
Chemical Name:
1-Dodecyne, 12-(1,1-dimethylethoxy)-
CAS Number:
121587-78-8
Molecular Formula:
C16H30O
Molecular Weight:
238.4088
IUPAC Name:
12-[(2-methylpropan-2-yl)oxy]dodec-1-yne
InChI:
InChI=1S/C16H30O/c1-5-6-7-8-9-10-11-12-13-14-15-17-16(2,3)4/h1H,6-15H2,2-4H3
InChI Key:
AEBYADFKFLZOMM-UHFFFAOYSA-N
SMILES:
C#CCCCCCCCCCCOC(C)(C)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.23g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.415g/mol
Monoisotopic Mass:
238.23g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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