[1-Methyl-2-[(tetrahydro-2H-pyran-2-yl)oxy]ethylidene]-propanedioic Acid Diethyl Ester - CAS 86958-53-4
Catalog: |
BB075828 |
Product Name: |
[1-Methyl-2-[(tetrahydro-2H-pyran-2-yl)oxy]ethylidene]-propanedioic Acid Diethyl Ester |
CAS: |
86958-53-4 |
Synonyms: |
2-[1-Methyl-2-[(tetrahydro-2H-pyran-2-yl)oxy]ethylidene]-propanedioic Acid 1,3-Diethyl Ester |
IUPAC Name: | diethyl 2-[1-(oxan-2-yloxy)propan-2-ylidene]propanedioate |
Description: | Intermediate in the preparation of olefins, butenolides and nitro butyrolactones. |
Molecular Weight: | 300.35 |
Molecular Formula: | C15H24O6 |
Canonical SMILES: | CCOC(=O)C(=C(C)COC1CCCCO1)C(=O)OCC |
InChI: | InChI=1S/C15H24O6/c1-4-18-14(16)13(15(17)19-5-2)11(3)10-21-12-8-6-7-9-20-12/h12H,4-10H2,1-3H3 |
InChI Key: | LESSPILOSKJBKI-UHFFFAOYSA-N |
References: | Beugelmans, R. et al.; B. Soc. Chim. Fr. 131, 1019 (1994). |
Complexity: | 368 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 300.15728848 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 300.15728848 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 71.1Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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