2-O-(2-methoxyethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate

C11H16O5 — CID 10998750

IUPAC2-O-(2-methoxyethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
SMILESCOCCOC(=O)C1=C(C(=O)OC)C1(C)C
InChIInChI=1S/C11H16O5/c1-11(2)7(9(12)15-4)8(11)10(13)16-6-5-14-3/h5-6H2,1-4H3
InChIKeyZNIBVQAWNDRORM-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.69
Rot. Bonds5

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

2-O-(2-methoxyethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate (PubChem CID 10998750) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-O-(2-methoxyethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-(2-methoxyethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
PubChem CID10998750
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name2-O-(2-methoxyethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
SMILESCOCCOC(=O)C1=C(C(=O)OC)C1(C)C
InChIInChI=1S/C11H16O5/c1-11(2)7(9(12)15-4)8(11)10(13)16-6-5-14-3/h5-6H2,1-4H3
InChIKeyZNIBVQAWNDRORM-UHFFFAOYSA-N
XLogP0.69
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclopropene-1,2-dicarboxylic acid, 3,3-dimethyl-, dimethyl ester
CID 11816262
2-Methoxyethyl 3-(4-methyl-2,5-dioxo-2,5-dihydrofuran-3-yl)propanoate
CID 59815898
Bis(2,2,2-trifluoroethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 102305684
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
Ditert-butyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 15189596
Diethyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 86198726
1-O-ethyl 2-O,4-O-dimethyl (Z)-1-methylbut-1-ene-1,2,4-tricarboxylate
CID 89232988
2-Ethoxyethyl 3-(4-methyl-2,5-dioxofuran-3-yl)propanoate
CID 148587949

Frequently Asked Questions

What is the IUPAC name of 2-O-(2-methoxyethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The IUPAC name of 2-O-(2-methoxyethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate (CID 10998750) is 2-O-(2-methoxyethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate.
What is the SMILES notation for 2-O-(2-methoxyethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The canonical SMILES for 2-O-(2-methoxyethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate is COCCOC(=O)C1=C(C(=O)OC)C1(C)C.
What is the InChIKey of 2-O-(2-methoxyethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The InChIKey is ZNIBVQAWNDRORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-11(2)7(9(12)15-4)8(11)10(13)16-6-5-14-3/h5-6H2,1-4H3.
What are the key properties of 2-O-(2-methoxyethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate?
2-O-(2-methoxyethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate has a molecular weight of 228.24 g/mol, XLogP of 0.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-(2-methoxyethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate is sourced from PubChem (CID 10998750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).