2-ethenoxy-1-methoxy-3-(2-methoxyethoxy)propane

C9H18O4 — CID 22498066

IUPAC2-ethenoxy-1-methoxy-3-(2-methoxyethoxy)propane
SMILESC=COC(COC)COCCOC
InChIInChI=1S/C9H18O4/c1-4-13-9(7-11-3)8-12-6-5-10-2/h4,9H,1,5-8H2,2-3H3
InChIKeyJSXFZFCHYPAEEQ-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.82
Rot. Bonds9

About 2-ethenoxy-1-methoxy-3-(2-methoxyethoxy)propane

2-ethenoxy-1-methoxy-3-(2-methoxyethoxy)propane (PubChem CID 22498066) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-ethenoxy-1-methoxy-3-(2-methoxyethoxy)propane.

Molecular Properties

Compound Name2-ethenoxy-1-methoxy-3-(2-methoxyethoxy)propane
PubChem CID22498066
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name2-ethenoxy-1-methoxy-3-(2-methoxyethoxy)propane
SMILESC=COC(COC)COCCOC
InChIInChI=1S/C9H18O4/c1-4-13-9(7-11-3)8-12-6-5-10-2/h4,9H,1,5-8H2,2-3H3
InChIKeyJSXFZFCHYPAEEQ-UHFFFAOYSA-N
XLogP0.82
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenoxy-1-methoxy-3-(2-methoxyethoxy)propane?
The IUPAC name of 2-ethenoxy-1-methoxy-3-(2-methoxyethoxy)propane (CID 22498066) is 2-ethenoxy-1-methoxy-3-(2-methoxyethoxy)propane.
What is the SMILES notation for 2-ethenoxy-1-methoxy-3-(2-methoxyethoxy)propane?
The canonical SMILES for 2-ethenoxy-1-methoxy-3-(2-methoxyethoxy)propane is C=COC(COC)COCCOC.
What is the InChIKey of 2-ethenoxy-1-methoxy-3-(2-methoxyethoxy)propane?
The InChIKey is JSXFZFCHYPAEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-4-13-9(7-11-3)8-12-6-5-10-2/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 2-ethenoxy-1-methoxy-3-(2-methoxyethoxy)propane?
2-ethenoxy-1-methoxy-3-(2-methoxyethoxy)propane has a molecular weight of 190.24 g/mol, XLogP of 0.82, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-1-methoxy-3-(2-methoxyethoxy)propane is sourced from PubChem (CID 22498066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).