Methyl 2,4,4-Trimethyl-6-oxocyclohex-1-enecarboxylate - CAS 75100-65-1
Catalog: |
BB076346 |
Product Name: |
Methyl 2,4,4-Trimethyl-6-oxocyclohex-1-enecarboxylate |
CAS: |
75100-65-1 |
Synonyms: |
Methyl 2,4,4-trimethyl-6-oxocyclohex-1-ene-1-carboxylate; methyl 2,4,4-trimethyl-6-oxo-1-cyclohexene-1-carboxylate; 3,5,5-TRIMETHYL-2-METHOXYCARBONYL-2-CYCLOHEXENONE; 3,5,5-Trimethyl-1-oxo-2-cyclohexene-2-carboxylic acid methyl ester |
IUPAC Name: | methyl 2,4,4-trimethyl-6-oxocyclohexene-1-carboxylate |
Description: | Methyl 2,4,4-Trimethyl-6-oxocyclohex-1-enecarboxylate is an intermediate for the synthesis of 1,1,5,5-Tetramethyl-2-(1-methylethenyl)cyclohexane (T305630), which is analyzed in synthetic elastomers and natural rubber studies of cyclic oligomer formation in the copolymerization of isoprene with isobutylene. |
Molecular Weight: | 196.24 |
Molecular Formula: | C11H16O3 |
Canonical SMILES: | CC1=C(C(=O)CC(C1)(C)C)C(=O)OC |
InChI: | InChI=1S/C11H16O3/c1-7-5-11(2,3)6-8(12)9(7)10(13)14-4/h5-6H2,1-4H3 |
InChI Key: | NRQHBEIJFHZERL-UHFFFAOYSA-N |
Solubility: | Dichloromethane; Ether |
Appearance: | Yellow Oil |
Storage: | Room Temperature |
References: | Kuntz, I., Makromolekulare Chemie, Macromolecular Symposia, 13-14, 337-62, (1988). |
Complexity: | 311 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.109944368 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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