Home Other Building Blocks 5-Methylhex-1-yn-3-ol

5-Methylhex-1-yn-3-ol

CAS No.:
61996-79-0
Catalog Number:
AG003MUR
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
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Product Description
Catalog Number:
AG003MUR
Chemical Name:
5-Methylhex-1-yn-3-ol
CAS Number:
61996-79-0
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
MDL Number:
MFCD00041606
IUPAC Name:
5-methylhex-1-yn-3-ol
InChI:
InChI=1S/C7H12O/c1-4-7(8)5-6(2)3/h1,6-8H,5H2,2-3H3
InChI Key:
NTNUBJHPRAMQPC-UHFFFAOYSA-N
SMILES:
OC(CC(C)C)C#C
Properties
Complexity:
96.2  
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:
2  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties