1-(1-ethoxyethoxy)butane

C8H18O2 — CID 552119

IUPAC1-(1-ethoxyethoxy)butane
SMILESCCCCOC(C)OCC
InChIInChI=1S/C8H18O2/c1-4-6-7-10-8(3)9-5-2/h8H,4-7H2,1-3H3
InChIKeyVULXTAWRXFGMKL-UHFFFAOYSA-N
MW146.23 g/mol
LogP2.19
Rot. Bonds6

About 1-(1-ethoxyethoxy)butane

1-(1-ethoxyethoxy)butane (PubChem CID 552119) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 1-(1-ethoxyethoxy)butane.

Molecular Properties

Compound Name1-(1-ethoxyethoxy)butane
PubChem CID552119
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name1-(1-ethoxyethoxy)butane
SMILESCCCCOC(C)OCC
InChIInChI=1S/C8H18O2/c1-4-6-7-10-8(3)9-5-2/h8H,4-7H2,1-3H3
InChIKeyVULXTAWRXFGMKL-UHFFFAOYSA-N
XLogP2.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethoxy)butane?
The IUPAC name of 1-(1-ethoxyethoxy)butane (CID 552119) is 1-(1-ethoxyethoxy)butane.
What is the SMILES notation for 1-(1-ethoxyethoxy)butane?
The canonical SMILES for 1-(1-ethoxyethoxy)butane is CCCCOC(C)OCC.
What is the InChIKey of 1-(1-ethoxyethoxy)butane?
The InChIKey is VULXTAWRXFGMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-4-6-7-10-8(3)9-5-2/h8H,4-7H2,1-3H3.
What are the key properties of 1-(1-ethoxyethoxy)butane?
1-(1-ethoxyethoxy)butane has a molecular weight of 146.23 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethoxy)butane is sourced from PubChem (CID 552119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).