2-(4-Pentynyloxy)tetrahydro-2H-pyran - CAS 62992-46-5
Catalog: |
BB031921 |
Product Name: |
2-(4-Pentynyloxy)tetrahydro-2H-pyran |
CAS: |
62992-46-5 |
Synonyms: |
2-pent-4-ynoxyoxane |
IUPAC Name: | 2-pent-4-ynoxyoxane |
Description: | 2-(4-Pentynyloxy)tetrahydro-2H-pyran (CAS# 62992-46-5) is used as a reagent in the synthesis of (+)-Citrafungin A, an alkyl citrate compound that acts as a geranylgeranyltransferase (GGTase) inhibitor and also exhibits antifungal activity. |
Molecular Weight: | 168.23 |
Molecular Formula: | C10H16O2 |
Canonical SMILES: | C#CCCCOC1CCCCO1 |
InChI: | InChI=1S/C10H16O2/c1-2-3-5-8-11-10-7-4-6-9-12-10/h1,10H,3-9H2 |
InChI Key: | TZRUKFFDSQQSCK-UHFFFAOYSA-N |
Boiling Point: | 40-45 °C / 0.03 mmHg (lit.) |
Density: | 0.968 g/mL at 25 °C (lit.) |
Appearance: | Colorless liquid |
MDL: | MFCD00792655 |
LogP: | 1.94300 |
Publication Number | Title | Priority Date |
WO-2021011913-A1 | Tau-protein targeting compounds and associated methods of use | 20190717 |
CN-109467504-A | The method for preparing (4Z, 7Z) -4,7- decadinene -1- yl acetate | 20170907 |
EP-3453699-A1 | Process for preparing (4z,7z)-4,7-decadien-1-yl acetate | 20170907 |
EP-3453699-B1 | Process for preparing (4z,7z)-4,7-decadien-1-yl acetate | 20170907 |
JP-2019043925-A | Process for producing (4Z, 7Z) -4, 7-decadien-1-yl acetate | 20170907 |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.115029749 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 18.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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