Home Other Building Blocks 1-Propyne, 3-(1,1-dimethylethoxy)-

1-Propyne, 3-(1,1-dimethylethoxy)-

CAS No.:
16314-18-4
Catalog Number:
AG001TTT
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
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Product Description
Catalog Number:
AG001TTT
Chemical Name:
1-Propyne, 3-(1,1-dimethylethoxy)-
CAS Number:
16314-18-4
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
MDL Number:
MFCD07368651
IUPAC Name:
2-methyl-2-prop-2-ynoxypropane
InChI:
InChI=1S/C7H12O/c1-5-6-8-7(2,3)4/h1H,6H2,2-4H3
InChI Key:
QIGSPXPODKLGRK-UHFFFAOYSA-N
SMILES:
C#CCOC(C)(C)C
Properties
Complexity:
99.3  
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:
0
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties