| CAS Number | 23033-70-7 |
| Catalog Number | AG01AIGL(AGN-PC-02LXTH) |
| Chemical Name | 2,2,6-Trimethylheptan-3-one |
| IUPAC Name | 2,2,6-trimethylheptan-3-one |
| InChI | InChI=1S/C10H20O/c1-8(2)6-7-9(11)10(3,4)5/h8H,6-7H2,1-5H3 |
| InChI Key | WEZPUQPROWKXCL-UHFFFAOYSA-N |
| MDL Number | MFCD11655211 |
| Molecular Formula | C10H20O |
| Molecular Weight | 156.2652 |
| SMILES | CC(CCC(C(C)(C)C)=O)C |
| Synonyms | 2,2,6-trimethylheptan-3-one,
23033-70-7,
2,2,6-trimethyl-3-heptanone,
SCHEMBL7692470,
2,2,6-Trimethylheptane-3-one,
WEZPUQPROWKXCL-UHFFFAOYSA-N,
ZINC37479149,
AKOS008127854,
MCULE-1197923675,
NE18440,
EN300-77737,
|
| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.151g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.269g/mol |
| Monoisotopic Mass | 156.151g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number