diethyl 2-ethenyl-6-methylideneoxane-4,4-dicarboxylate

C14H20O5 — CID 14040263

IUPACdiethyl 2-ethenyl-6-methylideneoxane-4,4-dicarboxylate
SMILESC=CC1CC(C(=O)OCC)(C(=O)OCC)CC(=C)O1
InChIInChI=1S/C14H20O5/c1-5-11-9-14(8-10(4)19-11,12(15)17-6-2)13(16)18-7-3/h5,11H,1,4,6-9H2,2-3H3
InChIKeyGVALPGLLAXCZFM-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.98
Rot. Bonds5

About diethyl 2-ethenyl-6-methylideneoxane-4,4-dicarboxylate

diethyl 2-ethenyl-6-methylideneoxane-4,4-dicarboxylate (PubChem CID 14040263) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is diethyl 2-ethenyl-6-methylideneoxane-4,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-ethenyl-6-methylideneoxane-4,4-dicarboxylate
PubChem CID14040263
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Namediethyl 2-ethenyl-6-methylideneoxane-4,4-dicarboxylate
SMILESC=CC1CC(C(=O)OCC)(C(=O)OCC)CC(=C)O1
InChIInChI=1S/C14H20O5/c1-5-11-9-14(8-10(4)19-11,12(15)17-6-2)13(16)18-7-3/h5,11H,1,4,6-9H2,2-3H3
InChIKeyGVALPGLLAXCZFM-UHFFFAOYSA-N
XLogP1.98
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-ethenyl-6-methylideneoxane-4,4-dicarboxylate?
The IUPAC name of diethyl 2-ethenyl-6-methylideneoxane-4,4-dicarboxylate (CID 14040263) is diethyl 2-ethenyl-6-methylideneoxane-4,4-dicarboxylate.
What is the SMILES notation for diethyl 2-ethenyl-6-methylideneoxane-4,4-dicarboxylate?
The canonical SMILES for diethyl 2-ethenyl-6-methylideneoxane-4,4-dicarboxylate is C=CC1CC(C(=O)OCC)(C(=O)OCC)CC(=C)O1.
What is the InChIKey of diethyl 2-ethenyl-6-methylideneoxane-4,4-dicarboxylate?
The InChIKey is GVALPGLLAXCZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-5-11-9-14(8-10(4)19-11,12(15)17-6-2)13(16)18-7-3/h5,11H,1,4,6-9H2,2-3H3.
What are the key properties of diethyl 2-ethenyl-6-methylideneoxane-4,4-dicarboxylate?
diethyl 2-ethenyl-6-methylideneoxane-4,4-dicarboxylate has a molecular weight of 268.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-ethenyl-6-methylideneoxane-4,4-dicarboxylate is sourced from PubChem (CID 14040263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).