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88692-69-7 | Ethanol, 2-[[1-(iodoethynyl)-1,5-dimethyl-4-hexenyl]oxy]-
CAS No: 88692-69-7 Catalog No: AG0047NL MDL No:
Product Description
Catalog Number:
AG0047NL
Chemical Name:
Ethanol, 2-[[1-(iodoethynyl)-1,5-dimethyl-4-hexenyl]oxy]-
CAS Number:
88692-69-7
Molecular Formula:
C12H19IO2
Molecular Weight:
322.1825
IUPAC Name:
2-(1-iodo-3,7-dimethyloct-6-en-1-yn-3-yl)oxyethanol
InChI:
InChI=1S/C12H19IO2/c1-11(2)5-4-6-12(3,7-8-13)15-10-9-14/h5,14H,4,6,9-10H2,1-3H3
InChI Key:
HECXUILNFOUWGP-UHFFFAOYSA-N
SMILES:
OCCOC(C#CI)(CCC=C(C)C)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.186g/mol
Monoisotopic Mass:
322.043g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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