bis[2-(2-ethoxyethoxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate

C19H32O8 — CID 57266237

IUPACbis[2-(2-ethoxyethoxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate
SMILESC=CC1CC1(C(=O)OCCOCCOCC)C(=O)OCCOCCOCC
InChIInChI=1S/C19H32O8/c1-4-16-15-19(16,17(20)26-13-11-24-9-7-22-5-2)18(21)27-14-12-25-10-8-23-6-3/h4,16H,1,5-15H2,2-3H3
InChIKeyJXQLIDJEVIQWFG-UHFFFAOYSA-N
MW388.46 g/mol
LogP1.37
Rot. Bonds17

About bis[2-(2-ethoxyethoxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate

bis[2-(2-ethoxyethoxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate (PubChem CID 57266237) has the molecular formula C19H32O8 and a molecular weight of 388.46 g/mol. Its IUPAC name is bis[2-(2-ethoxyethoxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Namebis[2-(2-ethoxyethoxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate
PubChem CID57266237
Molecular FormulaC19H32O8
Molecular Weight388.46 g/mol
Exact Mass388.21
IUPAC Namebis[2-(2-ethoxyethoxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate
SMILESC=CC1CC1(C(=O)OCCOCCOCC)C(=O)OCCOCCOCC
InChIInChI=1S/C19H32O8/c1-4-16-15-19(16,17(20)26-13-11-24-9-7-22-5-2)18(21)27-14-12-25-10-8-23-6-3/h4,16H,1,5-15H2,2-3H3
InChIKeyJXQLIDJEVIQWFG-UHFFFAOYSA-N
XLogP1.37
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 bis[2-(2-ethoxyethoxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate?
The IUPAC name of bis[2-(2-ethoxyethoxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate (CID 57266237) is bis[2-(2-ethoxyethoxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate.
What is the SMILES notation for bis[2-(2-ethoxyethoxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate?
The canonical SMILES for bis[2-(2-ethoxyethoxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate is C=CC1CC1(C(=O)OCCOCCOCC)C(=O)OCCOCCOCC.
What is the InChIKey of bis[2-(2-ethoxyethoxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate?
The InChIKey is JXQLIDJEVIQWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O8/c1-4-16-15-19(16,17(20)26-13-11-24-9-7-22-5-2)18(21)27-14-12-25-10-8-23-6-3/h4,16H,1,5-15H2,2-3H3.
What are the key properties of bis[2-(2-ethoxyethoxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate?
bis[2-(2-ethoxyethoxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate has a molecular weight of 388.46 g/mol, XLogP of 1.37, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-ethoxyethoxy)ethyl] 2-ethenylcyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 57266237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).