diethyl 5-methyl-4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate

C15H24O5 — CID 101161323

IUPACdiethyl 5-methyl-4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate
SMILESC=C1C(C)OC(C(C)C)C1(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C15H24O5/c1-7-18-13(16)15(14(17)19-8-2)10(5)11(6)20-12(15)9(3)4/h9,11-12H,5,7-8H2,1-4,6H3
InChIKeyFIJZZBYHKXLYPH-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.10
Rot. Bonds5

About diethyl 5-methyl-4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate

diethyl 5-methyl-4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate (PubChem CID 101161323) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is diethyl 5-methyl-4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-methyl-4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate
PubChem CID101161323
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Namediethyl 5-methyl-4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate
SMILESC=C1C(C)OC(C(C)C)C1(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C15H24O5/c1-7-18-13(16)15(14(17)19-8-2)10(5)11(6)20-12(15)9(3)4/h9,11-12H,5,7-8H2,1-4,6H3
InChIKeyFIJZZBYHKXLYPH-UHFFFAOYSA-N
XLogP2.10
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.10
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 5-methyl-4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate?
The IUPAC name of diethyl 5-methyl-4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate (CID 101161323) is diethyl 5-methyl-4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate.
What is the SMILES notation for diethyl 5-methyl-4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate?
The canonical SMILES for diethyl 5-methyl-4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate is C=C1C(C)OC(C(C)C)C1(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 5-methyl-4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate?
The InChIKey is FIJZZBYHKXLYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5/c1-7-18-13(16)15(14(17)19-8-2)10(5)11(6)20-12(15)9(3)4/h9,11-12H,5,7-8H2,1-4,6H3.
What are the key properties of diethyl 5-methyl-4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate?
diethyl 5-methyl-4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate has a molecular weight of 284.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-methyl-4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate is sourced from PubChem (CID 101161323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).