2,2,4-Trimethylpentanal - CAS 70027-95-1
Catalog: |
BB076713 |
Product Name: |
2,2,4-Trimethylpentanal |
CAS: |
70027-95-1 |
Synonyms: |
2,2,4-trimethylpentanal; 1-Cbz-3-Aminopyrrolidine HCl or 1-benzyloxycarbonyl-3-aminopyrrolidine HCl |
IUPAC Name: | 2,2,4-trimethylpentanal |
Description: | 2,2,4-trimethylpentanal (cas# 70027-95-1) is a useful research chemical. |
Molecular Weight: | 128.21 |
Molecular Formula: | C8H16O |
Canonical SMILES: | CC(C)CC(C)(C)C=O |
InChI: | InChI=1S/C8H16O/c1-7(2)5-8(3,4)6-9/h6-7H,5H2,1-4H3 |
InChI Key: | RYMBYRHQENVRPJ-UHFFFAOYSA-N |
Complexity: | 92.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 128.12011513 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.12011513 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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