(3S)-4-Methyl-1-pentyn-3-ol - CAS 77943-78-3
Catalog: |
BB075841 |
Product Name: |
(3S)-4-Methyl-1-pentyn-3-ol |
CAS: |
77943-78-3 |
Synonyms: |
(3S)-4-methylpent-1-yn-3-ol; 1-Pentyn-3-ol, 4-methyl-, (S)-; (S)-4-Methyl-1-pentyne-3-ol; (3S)-4-Methyl-1-pentyn-3-ol |
IUPAC Name: | (3S)-4-methylpent-1-yn-3-ol |
Description: | (3S)-4-Methyl-1-pentyn-3-ol is used as a reactant in the preparation of imidazo[4,5-b]pyridine compounds having both angiotensin II receptor antagonism and PPARy activating activities. |
Molecular Weight: | 98.14 |
Molecular Formula: | C6H10O |
Canonical SMILES: | CC(C)C(C#C)O |
InChI: | InChI=1S/C6H10O/c1-4-6(7)5(2)3/h1,5-7H,2-3H3/t6-/m1/s1 |
InChI Key: | UTIFIONYBLSHIL-ZCFIWIBFSA-N |
References: | Bigge, Christopher F., et al. PCT Int. Appl., WO 2008084303 A1 20080717(2008). |
Complexity: | 85.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 98.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 98.073164938 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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