Methyl 2,2,4,4-Tetramethylcyclohexanecarboxylate - CAS 2234308-26-8
Catalog: |
BB076340 |
Product Name: |
Methyl 2,2,4,4-Tetramethylcyclohexanecarboxylate |
CAS: |
2234308-26-8 |
Synonyms: |
Methyl 2,2,4,4-tetramethylcyclohexane-1-carboxylate |
IUPAC Name: | methyl 2,2,4,4-tetramethylcyclohexane-1-carboxylate |
Description: | Methyl 2,2,4,4-Tetramethylcyclohexanecarboxylate 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: | 198.3 |
Molecular Formula: | C12H22O2 |
Canonical SMILES: | CC1(CCC(C(C1)(C)C)C(=O)OC)C |
InChI: | InChI=1S/C12H22O2/c1-11(2)7-6-9(10(13)14-5)12(3,4)8-11/h9H,6-8H2,1-5H3 |
InChI Key: | SAULJXDGHMOLOU-UHFFFAOYSA-N |
Appearance: | Clear Oil |
Storage: | Room Temperature |
References: | Kuntz, I., Makromolekulare Chemie, Macromolecular Symposia, 13-14, 337-62, (1988). |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.16197994 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.16197994 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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