1-[2-(2-ethoxyethoxy)ethenoxy]butane

C10H20O3 — CID 73415368

IUPAC1-[2-(2-ethoxyethoxy)ethenoxy]butane
SMILESCCCCOC=COCCOCC
InChIInChI=1S/C10H20O3/c1-3-5-6-12-9-10-13-8-7-11-4-2/h9-10H,3-8H2,1-2H3
InChIKeyLLKSOIMIOKLMDZ-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.33
Rot. Bonds9

About 1-[2-(2-ethoxyethoxy)ethenoxy]butane

1-[2-(2-ethoxyethoxy)ethenoxy]butane (PubChem CID 73415368) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-[2-(2-ethoxyethoxy)ethenoxy]butane.

Molecular Properties

Compound Name1-[2-(2-ethoxyethoxy)ethenoxy]butane
PubChem CID73415368
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name1-[2-(2-ethoxyethoxy)ethenoxy]butane
SMILESCCCCOC=COCCOCC
InChIInChI=1S/C10H20O3/c1-3-5-6-12-9-10-13-8-7-11-4-2/h9-10H,3-8H2,1-2H3
InChIKeyLLKSOIMIOKLMDZ-UHFFFAOYSA-N
XLogP2.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-[2-(2-ethoxyethoxy)ethenoxy]butane?
The IUPAC name of 1-[2-(2-ethoxyethoxy)ethenoxy]butane (CID 73415368) is 1-[2-(2-ethoxyethoxy)ethenoxy]butane.
What is the SMILES notation for 1-[2-(2-ethoxyethoxy)ethenoxy]butane?
The canonical SMILES for 1-[2-(2-ethoxyethoxy)ethenoxy]butane is CCCCOC=COCCOCC.
What is the InChIKey of 1-[2-(2-ethoxyethoxy)ethenoxy]butane?
The InChIKey is LLKSOIMIOKLMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-3-5-6-12-9-10-13-8-7-11-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-[2-(2-ethoxyethoxy)ethenoxy]butane?
1-[2-(2-ethoxyethoxy)ethenoxy]butane has a molecular weight of 188.27 g/mol, XLogP of 2.33, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyethoxy)ethenoxy]butane is sourced from PubChem (CID 73415368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).