2-ethenoxy-1-(2-ethenoxy-3-ethoxybutoxy)-3-ethoxybutane

C16H30O5 — CID 19763662

IUPAC2-ethenoxy-1-(2-ethenoxy-3-ethoxybutoxy)-3-ethoxybutane
SMILESC=COC(COCC(OC=C)C(C)OCC)C(C)OCC
InChIInChI=1S/C16H30O5/c1-7-18-13(5)15(20-9-3)11-17-12-16(21-10-4)14(6)19-8-2/h9-10,13-16H,3-4,7-8,11-12H2,1-2,5-6H3
InChIKeyWWQONUASTMMLHJ-UHFFFAOYSA-N
MW302.41 g/mol
LogP2.91
Rot. Bonds14

About 2-ethenoxy-1-(2-ethenoxy-3-ethoxybutoxy)-3-ethoxybutane

2-ethenoxy-1-(2-ethenoxy-3-ethoxybutoxy)-3-ethoxybutane (PubChem CID 19763662) has the molecular formula C16H30O5 and a molecular weight of 302.41 g/mol. Its IUPAC name is 2-ethenoxy-1-(2-ethenoxy-3-ethoxybutoxy)-3-ethoxybutane.

Molecular Properties

Compound Name2-ethenoxy-1-(2-ethenoxy-3-ethoxybutoxy)-3-ethoxybutane
PubChem CID19763662
Molecular FormulaC16H30O5
Molecular Weight302.41 g/mol
Exact Mass302.21
IUPAC Name2-ethenoxy-1-(2-ethenoxy-3-ethoxybutoxy)-3-ethoxybutane
SMILESC=COC(COCC(OC=C)C(C)OCC)C(C)OCC
InChIInChI=1S/C16H30O5/c1-7-18-13(5)15(20-9-3)11-17-12-16(21-10-4)14(6)19-8-2/h9-10,13-16H,3-4,7-8,11-12H2,1-2,5-6H3
InChIKeyWWQONUASTMMLHJ-UHFFFAOYSA-N
XLogP2.91
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenoxy-1-(2-ethenoxy-3-ethoxybutoxy)-3-ethoxybutane?
The IUPAC name of 2-ethenoxy-1-(2-ethenoxy-3-ethoxybutoxy)-3-ethoxybutane (CID 19763662) is 2-ethenoxy-1-(2-ethenoxy-3-ethoxybutoxy)-3-ethoxybutane.
What is the SMILES notation for 2-ethenoxy-1-(2-ethenoxy-3-ethoxybutoxy)-3-ethoxybutane?
The canonical SMILES for 2-ethenoxy-1-(2-ethenoxy-3-ethoxybutoxy)-3-ethoxybutane is C=COC(COCC(OC=C)C(C)OCC)C(C)OCC.
What is the InChIKey of 2-ethenoxy-1-(2-ethenoxy-3-ethoxybutoxy)-3-ethoxybutane?
The InChIKey is WWQONUASTMMLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O5/c1-7-18-13(5)15(20-9-3)11-17-12-16(21-10-4)14(6)19-8-2/h9-10,13-16H,3-4,7-8,11-12H2,1-2,5-6H3.
What are the key properties of 2-ethenoxy-1-(2-ethenoxy-3-ethoxybutoxy)-3-ethoxybutane?
2-ethenoxy-1-(2-ethenoxy-3-ethoxybutoxy)-3-ethoxybutane has a molecular weight of 302.41 g/mol, XLogP of 2.91, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-1-(2-ethenoxy-3-ethoxybutoxy)-3-ethoxybutane is sourced from PubChem (CID 19763662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).