2-(2-Methylcyclohexylidene)acetaldehyde - CAS 7071-16-1
Catalog: |
BB075929 |
Product Name: |
2-(2-Methylcyclohexylidene)acetaldehyde |
CAS: |
7071-16-1 |
Synonyms: |
(2-Methylcyclohexylidene)acetaldehyde; 2-Methyl-Δ1,α-cyclohexaneacetaldehyde |
IUPAC Name: | 2-(2-methylcyclohexylidene)acetaldehyde |
Description: | 2-(2-Methylcyclohexylidene)acetaldehyde, can be used as an intermediate for the novel and highly stereoselective synthesis of aza-spirocycles. |
Molecular Weight: | 138.21 |
Molecular Formula: | C9H14O |
Canonical SMILES: | CC1CCCCC1=CC=O |
InChI: | InChI=1S/C9H14O/c1-8-4-2-3-5-9(8)6-7-10/h6-8H,2-5H2,1H3 |
InChI Key: | OUUDWHJGEZBJPF-UHFFFAOYSA-N |
References: | McLaughlin, M., et al. Org. Lett., 4, 2017 (2002). |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.104465066 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.104465066 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 2.1 |
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