| CAS Number | 1781-83-5 |
| Catalog Number | AG00ABUZ(AGN-PC-0JT4K6) |
| Chemical Name | spiro[5.5]undecan-1-one |
| IUPAC Name | spiro[5.5]undecan-5-one |
| InChI | InChI=1S/C11H18O/c12-10-6-2-5-9-11(10)7-3-1-4-8-11/h1-9H2 |
| InChI Key | ISUXBNXLVOPNBA-UHFFFAOYSA-N |
| MDL Number | MFCD00019474 |
| Molecular Formula | C11H18O |
| Molecular Weight | 166.2600 |
| SMILES | O=C1C2(CCCCC2)CCCC1 |
| Synonyms | Spiro[5.5]undecan-1-one,
1781-83-5,
2,2-pentamethylenecyclohexanone,
ISUXBNXLVOPNBA-UHFFFAOYSA-N,
1-Oxospiro[5.5]undecane,
spiro[5.5]undecanone,
AC1LCC07,
spiro[5.5]undecan-11-one,
SCHEMBL3400810,
CTK7H3967,
ZINC2566242,
AKOS023657390,
MCULE-9031710972,
NE53060,
Z1694636509,
CID573924,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.264g/mol |
| Monoisotopic Mass | 166.136g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number