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Home Other Building Blocks 3,5-Dimethylhex-1-yn-3-ol

3,5-Dimethylhex-1-yn-3-ol

CAS No.:
107-54-0
Catalog Number:
AG003IOE
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
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Product Description
Catalog Number:
AG003IOE
Chemical Name:
3,5-Dimethylhex-1-yn-3-ol
CAS Number:
107-54-0
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
MDL Number:
MFCD00008941
IUPAC Name:
3,5-dimethylhex-1-yn-3-ol
InChI:
InChI=1S/C8H14O/c1-5-8(4,9)6-7(2)3/h1,7,9H,6H2,2-4H3
InChI Key:
NECRQCBKTGZNMH-UHFFFAOYSA-N
SMILES:
CC(CC(C#C)(O)C)C
EC Number:
203-500-9
NSC Number:
978
Properties
Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Photochemical properties of UV Filter molecules of the human eye. Investigative ophthalmology & visual science 20110929
Major changes in human ocular UV protection with age. Investigative ophthalmology & visual science 20010101
Properties