tert-Butyl 5-Iodovalerate - CAS 56198-37-9
Catalog: |
BB070954 |
Product Name: |
tert-Butyl 5-Iodovalerate |
CAS: |
56198-37-9 |
Synonyms: |
TERT-BUTYL 5-IODOPENTANOATE; tert-Butyl5-Iodovalerate; 5-Iodo-pentanoic acid tert-butyl ester; 5-Iodovaleric acid tert-butyl ester; t-butyl 5-iodopentanoate; tert-Butyl 5-iodovalerate |
IUPAC Name: | tert-butyl 5-iodopentanoate |
Molecular Weight: | 284.13 |
Molecular Formula: | C9H17IO2 |
Canonical SMILES: | CC(C)(C)OC(=O)CCCCI |
InChI: | InChI=1S/C9H17IO2/c1-9(2,3)12-8(11)6-4-5-7-10/h4-7H2,1-3H3 |
InChI Key: | MUZIHYJJSZAJSY-UHFFFAOYSA-N |
References: | Chen, I., et al. Nat. Methods, 2, 99 (2005). |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.02733 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.02733 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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