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113831-58-6 | 1-Octanol, 2,5,7,7-tetramethyl-
CAS No: 113831-58-6 Catalog No: AG0009UF MDL No:
Product Description
Catalog Number:
AG0009UF
Chemical Name:
1-Octanol, 2,5,7,7-tetramethyl-
CAS Number:
113831-58-6
Molecular Formula:
C12H26O
Molecular Weight:
186.3342
IUPAC Name:
2,5,7,7-tetramethyloctan-1-ol
InChI:
InChI=1S/C12H26O/c1-10(8-12(3,4)5)6-7-11(2)9-13/h10-11,13H,6-9H2,1-5H3
InChI Key:
SDLZYKUEPAKVBJ-UHFFFAOYSA-N
SMILES:
OCC(CCC(CC(C)(C)C)C)C
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.198g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.339g/mol
Monoisotopic Mass:
186.198g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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