2-Pentanol, dimethyl-


Chemical Name: 2-Pentanol, dimethyl-
CAS Number: 617-29-8
Product Number: AG003HMI(AGN-PC-0JKADL)
Synonyms:
MDL No:
Molecular Formula: C7H16O
Molecular Weight: 116.2013

Identification/Properties


Computed Properties
Molecular Weight:
116.204g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
3
Exact Mass:
116.12g/mol
Monoisotopic Mass:
116.12g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
50.3
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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