Home Other Building Blocks 2-Butanol,3,3-dimethyl-, (2S)-

2-Butanol,3,3-dimethyl-, (2S)-

CAS No.:
1517-67-5
Catalog Number:
AG007E0O
Molecular Formula:
C6H14O
Molecular Weight:
102.1748
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Product Description
Catalog Number:
AG007E0O
Chemical Name:
2-Butanol,3,3-dimethyl-, (2S)-
CAS Number:
1517-67-5
Molecular Formula:
C6H14O
Molecular Weight:
102.1748
MDL Number:
MFCD08702984
IUPAC Name:
(2S)-3,3-dimethylbutan-2-ol
InChI:
InChI=1S/C6H14O/c1-5(7)6(2,3)4/h5,7H,1-4H3/t5-/m0/s1
InChI Key:
DFOXKPDFWGNLJU-YFKPBYRVSA-N
SMILES:
C[C@@H](C(C)(C)C)O
Properties
Complexity:
51.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
102.104g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
102.177g/mol
Monoisotopic Mass:
102.104g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties