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1000-63-1 | Butane, 1-(1,1-dimethylethoxy)-
CAS No: 1000-63-1 Catalog No: AG00008H MDL No:
Product Description
Catalog Number:
AG00008H
Chemical Name:
Butane, 1-(1,1-dimethylethoxy)-
CAS Number:
1000-63-1
Molecular Formula:
C8H18O
Molecular Weight:
130.2279
IUPAC Name:
1-[(2-methylpropan-2-yl)oxy]butane
InChI:
InChI=1S/C8H18O/c1-5-6-7-9-8(2,3)4/h5-7H2,1-4H3
InChI Key:
JJNQHLLBFBGKEL-UHFFFAOYSA-N
SMILES:
CCCCOC(C)(C)C
Properties
Complexity:
61.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.136g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.231g/mol
Monoisotopic Mass:
130.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Biofuels from microbes. | Applied microbiology and biotechnology 20071101 |
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