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114589-07-0 | Octane, 1-ethoxy-2,6-dimethyl-
CAS No: 114589-07-0 Catalog No: AG000ER1 MDL No:
Product Description
Catalog Number:
AG000ER1
Chemical Name:
Octane, 1-ethoxy-2,6-dimethyl-
CAS Number:
114589-07-0
Molecular Formula:
C12H26O
Molecular Weight:
186.3342
IUPAC Name:
1-ethoxy-2,6-dimethyloctane
InChI:
InChI=1S/C12H26O/c1-5-11(3)8-7-9-12(4)10-13-6-2/h11-12H,5-10H2,1-4H3
InChI Key:
QOOBJVKSHYWVJH-UHFFFAOYSA-N
SMILES:
CCOCC(CCCC(CC)C)C
Properties
Complexity:
101
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:
0
Isotope Atom Count:
0
Molecular Weight:
186.339g/mol
Monoisotopic Mass:
186.198g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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