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145125-19-5 | 1-Hexanol, 2-(1,1-dimethylethoxy)-
CAS No: 145125-19-5 Catalog No: AG001KLP MDL No:
Product Description
Catalog Number:
AG001KLP
Chemical Name:
1-Hexanol, 2-(1,1-dimethylethoxy)-
CAS Number:
145125-19-5
Molecular Formula:
C10H22O2
Molecular Weight:
174.2805
IUPAC Name:
2-[(2-methylpropan-2-yl)oxy]hexan-1-ol
InChI:
InChI=1S/C10H22O2/c1-5-6-7-9(8-11)12-10(2,3)4/h9,11H,5-8H2,1-4H3
InChI Key:
AUWQEPDWTLTVKS-UHFFFAOYSA-N
SMILES:
CCCCC(OC(C)(C)C)CO
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.162g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.284g/mol
Monoisotopic Mass:
174.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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