Tetrahydro-2-(2-propynyloxy)-2H-pyran - CAS 6089-04-9
Catalog: |
BB030847 |
Product Name: |
Tetrahydro-2-(2-propynyloxy)-2H-pyran |
CAS: |
6089-04-9 |
Synonyms: |
2-prop-2-ynoxyoxane |
IUPAC Name: | 2-prop-2-ynoxyoxane |
Description: | Tetrahydro-2-(2-propynyloxy)-2H-pyran (CAS# 6089-04-9) is used as a reagent to synthesize (-)-Histrionicotoxin, a spiropiperidine toxin that is isolated from the skin extracts of a Columbian frog (Dendrobates histrionicus). 2-(2-Propynyloxy)tetrahydropyran is also used as a reagent to prepare (-)-Exiguolide, a 16-membered macrolide that is used as a fertilization inhibitor. |
Molecular Weight: | 140.18 |
Molecular Formula: | C8H12O2 |
Canonical SMILES: | C#CCOC1CCCCO1 |
InChI: | InChI=1S/C8H12O2/c1-2-6-9-8-5-3-4-7-10-8/h1,8H,3-7H2 |
InChI Key: | HQAXHIGPGBPPFU-UHFFFAOYSA-N |
Boiling Point: | 63-65 °C / 9 mmHg (lit.) |
Purity: | > 97.0 % (GC) |
Density: | 0.997 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00006604 |
LogP: | 1.16280 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
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Complexity: | 133 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.083729621 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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