Home Other Building Blocks 2-Ethyl-5,5-dimethyl-1,3-dioxane

2-Ethyl-5,5-dimethyl-1,3-dioxane

CAS No.:
768-58-1
Catalog Number:
AG005881
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
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Product Description
Catalog Number:
AG005881
Chemical Name:
2-Ethyl-5,5-dimethyl-1,3-dioxane
CAS Number:
768-58-1
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
MDL Number:
MFCD16622268
IUPAC Name:
2-ethyl-5,5-dimethyl-1,3-dioxane
InChI:
InChI=1S/C8H16O2/c1-4-7-9-5-8(2,3)6-10-7/h7H,4-6H2,1-3H3
InChI Key:
QSHOOPIYPOINNH-UHFFFAOYSA-N
SMILES:
CCC1OCC(CO1)(C)C
EC Number:
212-197-2
Properties
Complexity:
99.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.115g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.214g/mol
Monoisotopic Mass:
144.115g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
An acute taste and odour episode solved by olfactory GC-MS. Water science and technology : a journal of the International Association on Water Pollution Research 20070101
Properties