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

C9H12O4 — CID 10330021

IUPACdimethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate
SMILESC=C[C@H]1CC1(C(=O)OC)C(=O)OC
InChIInChI=1S/C9H12O4/c1-4-6-5-9(6,7(10)12-2)8(11)13-3/h4,6H,1,5H2,2-3H3/t6-/m0/s1
InChIKeyBTHUKAQVHWDTAH-LURJTMIESA-N
MW184.19 g/mol
LogP0.52
Rot. Bonds3

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

dimethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate (PubChem CID 10330021) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is dimethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate
PubChem CID10330021
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Namedimethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate
SMILESC=C[C@H]1CC1(C(=O)OC)C(=O)OC
InChIInChI=1S/C9H12O4/c1-4-6-5-9(6,7(10)12-2)8(11)13-3/h4,6H,1,5H2,2-3H3/t6-/m0/s1
InChIKeyBTHUKAQVHWDTAH-LURJTMIESA-N
XLogP0.52
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.52
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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Related Compounds

Diethyl 2-vinylcyclopropane-1,1-dicarboxylate
CID 111025
1,1-Dimethyl 2-ethenylcyclopropane-1,1-dicarboxylate
CID 10464992
1,3-Diethyl 2-(1-methylethyl)-2-(2-propen-1-yl)propanedioate
CID 13010734
2-Ethenylcyclopropane-1,1-dicarboxylic acid
CID 285934
diethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate
CID 640069
Diethyl but-3-en-1-yl(methyl)propanedioate
CID 220070
dimethyl 2,2-dimethyl-3-[(E)-3,3,3-trifluoroprop-1-enyl]cyclopropane-1,1-dicarboxylate
CID 14245368
2-Vinylcyclopropane-1,1-dicarboxylic acid bis(2,2,2-trifluoroethyl) ester
CID 53493941
dimethyl 2-[(E)-3-cyclopropylprop-2-enyl]-2-(2-methylprop-2-enyl)propanedioate
CID 10978399
dimethyl 2-methyl-3-[(1E)-3-methylbuta-1,3-dienyl]cyclopropane-1,1-dicarboxylate
CID 12772403
dimethyl 2-[(E)-3-cyclopropyl-2-methylprop-2-enyl]-2-prop-2-enylpropanedioate
CID 101945243
dimethyl 2-but-3-enyl-2-[(E)-3-cyclopropylprop-2-enyl]propanedioate
CID 101945244

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate?
The IUPAC name of dimethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate (CID 10330021) is dimethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate is C=C[C@H]1CC1(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate?
The InChIKey is BTHUKAQVHWDTAH-LURJTMIESA-N. The full InChI is InChI=1S/C9H12O4/c1-4-6-5-9(6,7(10)12-2)8(11)13-3/h4,6H,1,5H2,2-3H3/t6-/m0/s1.
What are the key properties of dimethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate?
dimethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate has a molecular weight of 184.19 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 10330021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).