bis(2-methoxyethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate

C13H20O6 — CID 10956648

IUPACbis(2-methoxyethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
SMILESCOCCOC(=O)C1=C(C(=O)OCCOC)C1(C)C
InChIInChI=1S/C13H20O6/c1-13(2)9(11(14)18-7-5-16-3)10(13)12(15)19-8-6-17-4/h5-8H2,1-4H3
InChIKeyKFTOPNZBNQZNGG-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.70
Rot. Bonds8

About bis(2-methoxyethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate

bis(2-methoxyethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate (PubChem CID 10956648) has the molecular formula C13H20O6 and a molecular weight of 272.30 g/mol. Its IUPAC name is bis(2-methoxyethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate.

Molecular Properties

Compound Namebis(2-methoxyethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
PubChem CID10956648
Molecular FormulaC13H20O6
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Namebis(2-methoxyethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
SMILESCOCCOC(=O)C1=C(C(=O)OCCOC)C1(C)C
InChIInChI=1S/C13H20O6/c1-13(2)9(11(14)18-7-5-16-3)10(13)12(15)19-8-6-17-4/h5-8H2,1-4H3
InChIKeyKFTOPNZBNQZNGG-UHFFFAOYSA-N
XLogP0.70
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-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
Methane;2-methoxyethyl 3-(4-methyl-2,5-dioxofuran-3-yl)propanoate
CID 157549768

Frequently Asked Questions

What is the IUPAC name of bis(2-methoxyethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The IUPAC name of bis(2-methoxyethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate (CID 10956648) is bis(2-methoxyethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate.
What is the SMILES notation for bis(2-methoxyethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The canonical SMILES for bis(2-methoxyethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate is COCCOC(=O)C1=C(C(=O)OCCOC)C1(C)C.
What is the InChIKey of bis(2-methoxyethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The InChIKey is KFTOPNZBNQZNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O6/c1-13(2)9(11(14)18-7-5-16-3)10(13)12(15)19-8-6-17-4/h5-8H2,1-4H3.
What are the key properties of bis(2-methoxyethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate?
bis(2-methoxyethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate has a molecular weight of 272.30 g/mol, XLogP of 0.70, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxyethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate is sourced from PubChem (CID 10956648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).