Home Other Building Blocks 2,5-Dimethylhexan-2-ol

2,5-Dimethylhexan-2-ol

CAS No.:
3730-60-7
Catalog Number:
AG003FZE
Molecular Formula:
C8H18O
Molecular Weight:
130.2279
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Product Description
Catalog Number:
AG003FZE
Chemical Name:
2,5-Dimethylhexan-2-ol
CAS Number:
3730-60-7
Molecular Formula:
C8H18O
Molecular Weight:
130.2279
MDL Number:
MFCD00021814
IUPAC Name:
2,5-dimethylhexan-2-ol
InChI:
InChI=1S/C8H18O/c1-7(2)5-6-8(3,4)9/h7,9H,5-6H2,1-4H3
InChI Key:
JPUIYNHIEXIFMV-UHFFFAOYSA-N
SMILES:
CC(CCC(O)(C)C)C
EC Number:
223-085-8
NSC Number:
5594
Properties
Complexity:
74.6  
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:
2.2  
Properties