| CAS Number | 1311314-20-1 |
| Catalog Number | AG01AIR1(AGN-PC-0WO5WO) |
| Chemical Name | 1-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol |
| IUPAC Name | 1-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol |
| InChI | InChI=1S/C11H18O2/c1-5-8-6-7-9(13-8)10(12)11(2,3)4/h6-7,10,12H,5H2,1-4H3 |
| InChI Key | VXLWBLWVGDNGMP-UHFFFAOYSA-N |
| MDL Number | MFCD18917382 |
| Molecular Formula | C11H18O2 |
| Molecular Weight | 182.2594 |
| SMILES | CCC1OC(C(C(C)(C)C)O)=CC=1 |
| Synonyms | 1-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol,
1311314-20-1,
AKOS013500036,
MCULE-7183415157,
NE18003,
EN300-78822,
Z1259161715,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.263g/mol |
| Monoisotopic Mass | 182.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 33.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number