(R)-3,5-Dihydroxy-3-methylpentanenitrile - CAS 79618-05-6
Catalog: |
BB067483 |
Product Name: |
(R)-3,5-Dihydroxy-3-methylpentanenitrile |
CAS: |
79618-05-6 |
Synonyms: |
(R)-3,5-Dihydroxy-3-methylpentanenitrile |
IUPAC Name: | (3R)-3,5-dihydroxy-3-methylpentanenitrile |
Description: | (R)-3,5-Dihydroxy-3-methylpentanenitrile is an intermediate in enantioselective synthesis of mevalonolactone. |
Molecular Weight: | 129.16 |
Molecular Formula: | C6H11NO2 |
Canonical SMILES: | CC(CCO)(CC#N)O |
InChI: | InChI=1S/C6H11NO2/c1-6(9,2-4-7)3-5-8/h8-9H,2-3,5H2,1H3/t6-/m1/s1 |
InChI Key: | RLUNXOOTUPCUEU-ZCFIWIBFSA-N |
Solubility: | Chloroform, DCM, Ethyl Acetate, Methanol |
Appearance: | Light Green Oil |
References: | Eliel, E. L., et al. Tetrahedron. Lett., 22, 2859 (1981). |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 129.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 129.078978594 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 64.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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