Home Other Building Blocks 4,4-dimethylpent-1-yn-3-ol

4,4-dimethylpent-1-yn-3-ol

CAS No.:
19115-28-7
Catalog Number:
AG01DW3A
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
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Product Description
Catalog Number:
AG01DW3A
Chemical Name:
4,4-dimethylpent-1-yn-3-ol
CAS Number:
19115-28-7
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
MDL Number:
MFCD06407640
IUPAC Name:
4,4-dimethylpent-1-yn-3-ol
InChI:
InChI=1S/C7H12O/c1-5-6(8)7(2,3)4/h1,6,8H,2-4H3
InChI Key:
ILPLTEOGHOQFHJ-UHFFFAOYSA-N
SMILES:
OC(C(C)(C)C)C#C
Properties
Complexity:
110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties