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3842-03-3 | 1,1-Diethoxy-3-methylbutane
CAS No: 3842-03-3 Catalog No: AG003ADR MDL No:MFCD00051787
Product Description
Catalog Number:
AG003ADR
Chemical Name:
1,1-Diethoxy-3-methylbutane
CAS Number:
3842-03-3
Molecular Formula:
C9H20O2
Molecular Weight:
160.2539
MDL Number:
MFCD00051787
IUPAC Name:
1,1-diethoxy-3-methylbutane
InChI:
InChI=1S/C9H20O2/c1-5-10-9(11-6-2)7-8(3)4/h8-9H,5-7H2,1-4H3
InChI Key:
DDGBOLJFAMEBOE-UHFFFAOYSA-N
SMILES:
CCOC(CC(C)C)OCC
EC Number:
223-335-6
UNII:
SD2G66V598
FEMA Number:
4371
Properties
Complexity:
75.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.146g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.257g/mol
Monoisotopic Mass:
160.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Characterization of aroma compounds of chinese 'Wuliangye' and 'Jiannanchun' liquors by aroma extract dilution analysis. | Journal of agricultural and food chemistry 20060405 |
| Headspace solid phase microextraction and gas chromatography-olfactometry dilution analysis of young and aged Chinese 'Yanghe Daqu' liquors. | Journal of agricultural and food chemistry 20051005 |
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