3,3,5,5-Tetramethylcyclohexanone - CAS 14376-79-5
Catalog: |
BB009663 |
Product Name: |
3,3,5,5-Tetramethylcyclohexanone |
CAS: |
14376-79-5 |
Synonyms: |
3,3,5,5-tetramethylcyclohexan-1-one |
IUPAC Name: | 3,3,5,5-tetramethylcyclohexan-1-one |
Description: | 3,3,5,5-Tetramethylcyclohexanone (CAS# 14376-79-5) is a useful research chemical and a pharmaceutical intermediate. |
Molecular Weight: | 154.25 |
Molecular Formula: | C10H18O |
Canonical SMILES: | CC1(CC(=O)CC(C1)(C)C)C |
InChI: | InChI=1S/C10H18O/c1-9(2)5-8(11)6-10(3,4)7-9/h5-7H2,1-4H3 |
InChI Key: | OQJMHUOCLRCSED-UHFFFAOYSA-N |
Boiling Point: | 200-203 °C |
Density: | 0.857 g/cm3 |
Appearance: | Light yellow clear liquid |
MDL: | MFCD00001640 |
LogP: | 2.79180 |
Publication Number | Title | Priority Date |
EP-3656756-A1 | Process for the direct alpha-methylenation of ketones | 20181120 |
WO-2020104398-A1 | Process for the direct alpha-methylenation of ketones | 20181120 |
CN-113166027-A | Direct alpha-methylenation of ketones | 20181120 |
KR-20210093922-A | Direct alpha-methyleneation process of ketones | 20181120 |
WO-2020058058-A1 | HYDROLYTICALLY LABILE PRO-FRAGRANCES CONTAINING α,β UNSATURATED ESTERS | 20180917 |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.135765193 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.135765193 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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