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

C14H22O5 — CID 11108412

IUPACdiethyl 4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate
SMILESC=C1COC(C(C)C)C1(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C14H22O5/c1-6-17-12(15)14(13(16)18-7-2)10(5)8-19-11(14)9(3)4/h9,11H,5-8H2,1-4H3
InChIKeyZZCGGKFHEPFJPI-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.71
Rot. Bonds5

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

diethyl 4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate (PubChem CID 11108412) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is diethyl 4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate
PubChem CID11108412
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Namediethyl 4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate
SMILESC=C1COC(C(C)C)C1(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C14H22O5/c1-6-17-12(15)14(13(16)18-7-2)10(5)8-19-11(14)9(3)4/h9,11H,5-8H2,1-4H3
InChIKeyZZCGGKFHEPFJPI-UHFFFAOYSA-N
XLogP1.71
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.71
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'}

Analyze diethyl 4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diethyl 4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate?
The IUPAC name of diethyl 4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate (CID 11108412) is diethyl 4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate.
What is the SMILES notation for diethyl 4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate?
The canonical SMILES for diethyl 4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate is C=C1COC(C(C)C)C1(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate?
The InChIKey is ZZCGGKFHEPFJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-6-17-12(15)14(13(16)18-7-2)10(5)8-19-11(14)9(3)4/h9,11H,5-8H2,1-4H3.
What are the key properties of diethyl 4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate?
diethyl 4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate has a molecular weight of 270.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate is sourced from PubChem (CID 11108412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).