2-O-(2-methoxy-2-oxoethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate

C11H14O6 — CID 11021066

IUPAC2-O-(2-methoxy-2-oxoethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
SMILESCOC(=O)COC(=O)C1=C(C(=O)OC)C1(C)C
InChIInChI=1S/C11H14O6/c1-11(2)7(9(13)16-4)8(11)10(14)17-5-6(12)15-3/h5H2,1-4H3
InChIKeyUNJOWOFYUUVDOW-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.21
Rot. Bonds4

About 2-O-(2-methoxy-2-oxoethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate

2-O-(2-methoxy-2-oxoethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate (PubChem CID 11021066) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-O-(2-methoxy-2-oxoethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-(2-methoxy-2-oxoethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
PubChem CID11021066
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Name2-O-(2-methoxy-2-oxoethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
SMILESCOC(=O)COC(=O)C1=C(C(=O)OC)C1(C)C
InChIInChI=1S/C11H14O6/c1-11(2)7(9(13)16-4)8(11)10(14)17-5-6(12)15-3/h5H2,1-4H3
InChIKeyUNJOWOFYUUVDOW-UHFFFAOYSA-N
XLogP0.21
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

1-Cyclopropene-1,2-dicarboxylic acid, 3,3-dimethyl-, dimethyl ester
CID 11816262
2-O-(3-methoxy-2,2-dimethyl-3-oxopropyl) 1-O-(2-methoxy-2-oxoethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10893240
Bis(2-methoxyethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10956648
Bis(2-methoxy-2-oxoethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 11044776
1-O-methyl 2-O-prop-2-enyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 11745884
Dipropyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 11746732
Diethyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 86198726
2-O-(3-methoxy-2,2-dimethyl-3-oxopropyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10859024
bis[(2R)-1-ethoxy-1-oxopropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10893638
bis[(2S)-1-ethoxy-1-oxopropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10959217
2-O-[(2S)-1-methoxy-1-oxopropan-2-yl] 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10967090
2-O-(2-methoxyethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10998750

Frequently Asked Questions

What is the IUPAC name of 2-O-(2-methoxy-2-oxoethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The IUPAC name of 2-O-(2-methoxy-2-oxoethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate (CID 11021066) is 2-O-(2-methoxy-2-oxoethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate.
What is the SMILES notation for 2-O-(2-methoxy-2-oxoethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The canonical SMILES for 2-O-(2-methoxy-2-oxoethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate is COC(=O)COC(=O)C1=C(C(=O)OC)C1(C)C.
What is the InChIKey of 2-O-(2-methoxy-2-oxoethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The InChIKey is UNJOWOFYUUVDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O6/c1-11(2)7(9(13)16-4)8(11)10(14)17-5-6(12)15-3/h5H2,1-4H3.
What are the key properties of 2-O-(2-methoxy-2-oxoethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate?
2-O-(2-methoxy-2-oxoethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate has a molecular weight of 242.23 g/mol, XLogP of 0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-(2-methoxy-2-oxoethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate is sourced from PubChem (CID 11021066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).