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113412-43-4 | 1-Propanol, 3-[3-methyl-1-(1-methylethyl)butoxy]-
CAS No: 113412-43-4 Catalog No: AG0008HT MDL No:
Product Description
Catalog Number:
AG0008HT
Chemical Name:
1-Propanol, 3-[3-methyl-1-(1-methylethyl)butoxy]-
CAS Number:
113412-43-4
Molecular Formula:
C11H24O2
Molecular Weight:
188.3071
IUPAC Name:
3-(2,5-dimethylhexan-3-yloxy)propan-1-ol
InChI:
InChI=1S/C11H24O2/c1-9(2)8-11(10(3)4)13-7-5-6-12/h9-12H,5-8H2,1-4H3
InChI Key:
IMEGPCFNNKWHPK-UHFFFAOYSA-N
SMILES:
OCCCOC(C(C)C)CC(C)C
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.178g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.311g/mol
Monoisotopic Mass:
188.178g/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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