1-(2,4,4-Trimethyl-cyclohex-1-enyl)-ethanone - CAS 70092-25-0
Catalog: |
BB057094 |
Product Name: |
1-(2,4,4-Trimethyl-cyclohex-1-enyl)-ethanone |
CAS: |
70092-25-0 |
Synonyms: |
1-(2,4,4-Trimethylcyclohex-1-en-1-yl)ethan-1-one |
IUPAC Name: | 1-(2,4,4-trimethylcyclohexen-1-yl)ethanone |
Description: | 1-(2,4,4-Trimethyl-cyclohex-1-enyl)-ethanone is a proposed intermediate in 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: | 166.26 |
Molecular Formula: | C11H18O |
Canonical SMILES: | CC1=C(CCC(C1)(C)C)C(=O)C |
InChI: | InChI=1S/C11H18O/c1-8-7-11(3,4)6-5-10(8)9(2)12/h5-7H2,1-4H3 |
InChI Key: | DOYCVLYVGFQYSM-UHFFFAOYSA-N |
Solubility: | Dichloromethane; Ether |
Appearance: | Oil |
Storage: | Room Temperature |
References: | Kuntz, I., Makromolekulare Chemie, Macromolecular Symposia, 13-14, 337-62, (1988). |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.135765193 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.135765193 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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