(R)-3-Fluoro-4-methyl-1,4-pentanediol - CAS 86677-75-0
Catalog: |
BB038021 |
Product Name: |
(R)-3-Fluoro-4-methyl-1,4-pentanediol |
CAS: |
86677-75-0 |
Synonyms: |
(3R)-3-fluoro-4-methylpentane-1,4-diol; (3R)-3-fluoro-4-methylpentane-1,4-diol |
IUPAC Name: | (3R)-3-fluoro-4-methylpentane-1,4-diol |
Description: | (R)-3-Fluoro-4-methyl-1,4-pentanediol (CAS# 86677-75-0 ) is a useful research chemical. |
Molecular Weight: | 136.16 |
Molecular Formula: | C6H13FO2 |
Canonical SMILES: | CC(C)(C(CCO)F)O |
InChI: | InChI=1S/C6H13FO2/c1-6(2,9)5(7)3-4-8/h5,8-9H,3-4H2,1-2H3/t5-/m1/s1 |
InChI Key: | QLUGPYWTSBBCMO-RXMQYKEDSA-N |
LogP: | 0.47780 |
Publication Number | Title | Priority Date |
CA-1189537-A | Cholecalciferol derivatives | 19810828 |
DK-154644-B | Analogy procedure for preparing cholecalciferold derivatives | 19810828 |
EP-0073465-A2 | Cholecalciferol derivatives | 19810828 |
EP-0073465-B1 | Cholecalciferol derivatives | 19810828 |
IE-53831-B1 | Cholecalciferol derivatives | 19810828 |
Complexity: | 83.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.08995782 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.08995782 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 40.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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