1,1-Diethoxy-3-methyl-2-butene - CAS 1740-74-5
Catalog: |
BB012980 |
Product Name: |
1,1-Diethoxy-3-methyl-2-butene |
CAS: |
1740-74-5 |
Synonyms: |
1,1-diethoxy-3-methylbut-2-ene |
IUPAC Name: | 1,1-diethoxy-3-methylbut-2-ene |
Description: | 1,1-Diethoxy-3-methyl-2-butene (CAS# 1740-74-5 ) is a useful research chemical. |
Molecular Weight: | 158.24 |
Molecular Formula: | C9H18O2 |
Canonical SMILES: | CCOC(C=C(C)C)OCC |
InChI: | InChI=1S/C9H18O2/c1-5-10-9(11-6-2)7-8(3)4/h7,9H,5-6H2,1-4H3 |
InChI Key: | SFUKGEREDDIOED-UHFFFAOYSA-N |
Boiling Point: | 53-58 °C / 20 mmHg (lit.) |
Density: | 0.837 g/mL at 25 °C(lit.) |
MDL: | MFCD03093968 |
LogP: | 2.35170 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112979732-A | Furocoumarin compound and application thereof in mycobacterium tuberculosis detection | 20210401 |
WO-2021144395-A1 | Carboxylic dithiocarbamic acid anhydride compounds and compositions thereof | 20200115 |
JP-2018145120-A | Isosamidine analog and method for producing samidin analog | 20170302 |
AU-2014248041-A1 | Enhanced osteogenic activity of daidzein analogs on human mesenchymal stem cells | 20130404 |
CA-2904533-A1 | Enhanced osteogenic activity of daidzein analogs on human mesenchymal stem cells | 20130404 |
Complexity: | 109 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.130679813 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.130679813 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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