diethyl (2R)-2-prop-1-en-2-ylcyclopropane-1,1-dicarboxylate

C12H18O4 — CID 154718632

IUPACdiethyl (2R)-2-prop-1-en-2-ylcyclopropane-1,1-dicarboxylate
SMILESC=C(C)[C@H]1CC1(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C12H18O4/c1-5-15-10(13)12(11(14)16-6-2)7-9(12)8(3)4/h9H,3,5-7H2,1-2,4H3/t9-/m1/s1
InChIKeyFFMPTLARLJLKDV-SECBINFHSA-N
MW226.27 g/mol
LogP1.70
Rot. Bonds5

About diethyl (2R)-2-prop-1-en-2-ylcyclopropane-1,1-dicarboxylate

diethyl (2R)-2-prop-1-en-2-ylcyclopropane-1,1-dicarboxylate (PubChem CID 154718632) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is diethyl (2R)-2-prop-1-en-2-ylcyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl (2R)-2-prop-1-en-2-ylcyclopropane-1,1-dicarboxylate
PubChem CID154718632
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Namediethyl (2R)-2-prop-1-en-2-ylcyclopropane-1,1-dicarboxylate
SMILESC=C(C)[C@H]1CC1(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C12H18O4/c1-5-15-10(13)12(11(14)16-6-2)7-9(12)8(3)4/h9H,3,5-7H2,1-2,4H3/t9-/m1/s1
InChIKeyFFMPTLARLJLKDV-SECBINFHSA-N
XLogP1.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.70
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-prop-1-en-2-ylcyclopropane-1,1-dicarboxylate?
The IUPAC name of diethyl (2R)-2-prop-1-en-2-ylcyclopropane-1,1-dicarboxylate (CID 154718632) is diethyl (2R)-2-prop-1-en-2-ylcyclopropane-1,1-dicarboxylate.
What is the SMILES notation for diethyl (2R)-2-prop-1-en-2-ylcyclopropane-1,1-dicarboxylate?
The canonical SMILES for diethyl (2R)-2-prop-1-en-2-ylcyclopropane-1,1-dicarboxylate is C=C(C)[C@H]1CC1(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl (2R)-2-prop-1-en-2-ylcyclopropane-1,1-dicarboxylate?
The InChIKey is FFMPTLARLJLKDV-SECBINFHSA-N. The full InChI is InChI=1S/C12H18O4/c1-5-15-10(13)12(11(14)16-6-2)7-9(12)8(3)4/h9H,3,5-7H2,1-2,4H3/t9-/m1/s1.
What are the key properties of diethyl (2R)-2-prop-1-en-2-ylcyclopropane-1,1-dicarboxylate?
diethyl (2R)-2-prop-1-en-2-ylcyclopropane-1,1-dicarboxylate has a molecular weight of 226.27 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2R)-2-prop-1-en-2-ylcyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 154718632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).