1-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)propan-1-one - CAS 77642-82-1
Catalog: |
BB036003 |
Product Name: |
1-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)propan-1-one |
CAS: |
77642-82-1 |
Synonyms: |
1-(2,2-dimethyloxan-4-yl)propan-1-one |
IUPAC Name: | 1-(2,2-dimethyloxan-4-yl)propan-1-one |
Description: | 1-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)propan-1-one (CAS# 77642-82-1) is a useful research chemical. |
Molecular Weight: | 170.25 |
Molecular Formula: | C10H18O2 |
Canonical SMILES: | CCC(=O)C1CCOC(C1)(C)C |
InChI: | InChI=1S/C10H18O2/c1-4-9(11)8-5-6-12-10(2,3)7-8/h8H,4-7H2,1-3H3 |
InChI Key: | GZZHAALQRNEDQO-UHFFFAOYSA-N |
Boiling Point: | 233.2 °C at 760 mmHg |
Purity: | 95 % |
Density: | 0.926 g/cm3 |
LogP: | 2.17070 |
Publication Number | Title | Priority Date |
WO-2015005901-A1 | Combinations of hepatitis c virus inhibitors | 20130709 |
WO-2013106520-A1 | Hepatitis c virus inhibitors | 20120113 |
Complexity: | 173 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.130679813 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.130679813 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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