diethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate

C11H16O4 — CID 640069

IUPACdiethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate
SMILESC=C[C@H]1CC1(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C11H16O4/c1-4-8-7-11(8,9(12)14-5-2)10(13)15-6-3/h4,8H,1,5-7H2,2-3H3/t8-/m0/s1
InChIKeyUOQTXZICFVMERR-QMMMGPOBSA-N
MW212.24 g/mol
LogP1.30
Rot. Bonds5

About diethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate

diethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate (PubChem CID 640069) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is diethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate
PubChem CID640069
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namediethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate
SMILESC=C[C@H]1CC1(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C11H16O4/c1-4-8-7-11(8,9(12)14-5-2)10(13)15-6-3/h4,8H,1,5-7H2,2-3H3/t8-/m0/s1
InChIKeyUOQTXZICFVMERR-QMMMGPOBSA-N
XLogP1.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (2R)-2-ethenylcyclopropane-1,1-dicarboxylate?
The IUPAC name of diethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate (CID 640069) is diethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate.
What is the SMILES notation for diethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate?
The canonical SMILES for diethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate is C=C[C@H]1CC1(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate?
The InChIKey is UOQTXZICFVMERR-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16O4/c1-4-8-7-11(8,9(12)14-5-2)10(13)15-6-3/h4,8H,1,5-7H2,2-3H3/t8-/m0/s1.
What are the key properties of diethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate?
diethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 640069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).