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159898-73-4 | 2-Dodecyne, 12-(1,1-dimethylethoxy)-
CAS No: 159898-73-4 Catalog No: AG001RI2 MDL No:
Product Description
Catalog Number:
AG001RI2
Chemical Name:
2-Dodecyne, 12-(1,1-dimethylethoxy)-
CAS Number:
159898-73-4
Molecular Formula:
C16H30O
Molecular Weight:
238.4088
IUPAC Name:
12-[(2-methylpropan-2-yl)oxy]dodec-2-yne
InChI:
InChI=1S/C16H30O/c1-5-6-7-8-9-10-11-12-13-14-15-17-16(2,3)4/h7-15H2,1-4H3
InChI Key:
HVCQGLVNXOCUPG-UHFFFAOYSA-N
SMILES:
CC#CCCCCCCCCCOC(C)(C)C
Properties
Complexity:
223
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:
10
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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