| CAS Number | 937-07-5 |
| Catalog Number | AG01BKEZ(AGN-PC-0MXN5D) |
| Chemical Name | 4-tert-Butylcyclohex-2-en-1-one |
| IUPAC Name | 4-tert-butylcyclohex-2-en-1-one |
| InChI | InChI=1S/C10H16O/c1-10(2,3)8-4-6-9(11)7-5-8/h4,6,8H,5,7H2,1-3H3 |
| InChI Key | JVUQEKLVFLSSTL-UHFFFAOYSA-N |
| MDL Number | MFCD19688619 |
| Molecular Formula | C10H16O |
| Molecular Weight | 152.2334 |
| SMILES | CC(C1C=CC(=O)CC1)(C)C |
| Synonyms | 4-tert-butylcyclohex-2-en-1-one,
937-07-5,
2-Cyclohexen-1-one, 4-(1,1-dimethylethyl)-,
ACMC-20m3ci,
2-Cyclohexen-1-one, 4-(1,1-dimethylethyl)-, (4S)-,
4-t-butyl-2-cyclohexenone,
4-tert-butylcyclohex-2-enone,
SCHEMBL918872,
6-tert-Butylcyclohexene-3-one,
CTK3G9498,
JVUQEKLVFLSSTL-UHFFFAOYSA-N,
100295-50-9,
AKOS028111914,
CID11137355,
4-[(1,1-dimethyl)ethyl]-2-cyclohexen-1-one,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.237g/mol |
| Monoisotopic Mass | 152.12g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number