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114644-10-9 | 1-Pentanol, 2,2-diethyl-4,4-dimethyl-
CAS No: 114644-10-9 Catalog No: AG000EWE MDL No:
Product Description
Catalog Number:
AG000EWE
Chemical Name:
1-Pentanol, 2,2-diethyl-4,4-dimethyl-
CAS Number:
114644-10-9
Molecular Formula:
C11H24O
Molecular Weight:
172.3077
IUPAC Name:
2,2-diethyl-4,4-dimethylpentan-1-ol
InChI:
InChI=1S/C11H24O/c1-6-11(7-2,9-12)8-10(3,4)5/h12H,6-9H2,1-5H3
InChI Key:
GHPGHLUNHYAOOG-UHFFFAOYSA-N
SMILES:
CCC(CC(C)(C)C)(CO)CC
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.183g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.312g/mol
Monoisotopic Mass:
172.183g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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