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16325-64-7 | 1-Pentanol, 3,4,4-trimethyl-
CAS No: 16325-64-7 Catalog No: AG001TYF MDL No:
Product Description
Catalog Number:
AG001TYF
Chemical Name:
1-Pentanol, 3,4,4-trimethyl-
CAS Number:
16325-64-7
Molecular Formula:
C8H18O
Molecular Weight:
130.2279
IUPAC Name:
3,4,4-trimethylpentan-1-ol
InChI:
InChI=1S/C8H18O/c1-7(5-6-9)8(2,3)4/h7,9H,5-6H2,1-4H3
InChI Key:
FQNYRSRCONKFCN-UHFFFAOYSA-N
SMILES:
OCCC(C(C)(C)C)C
Properties
Complexity:
71.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.136g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
130.231g/mol
Monoisotopic Mass:
130.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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