1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]butane

C14H30O4 — CID 2733908

IUPAC1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]butane
SMILESCCCCOCCOCCOCCOCCCC
InChIInChI=1S/C14H30O4/c1-3-5-7-15-9-11-17-13-14-18-12-10-16-8-6-4-2/h3-14H2,1-2H3
InChIKeyKTSVVTQTKRGWGU-UHFFFAOYSA-N
MW262.39 g/mol
LogP2.65
Rot. Bonds15

About 1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]butane

1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]butane (PubChem CID 2733908) has the molecular formula C14H30O4 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]butane.

Molecular Properties

Compound Name1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]butane
PubChem CID2733908
Molecular FormulaC14H30O4
Molecular Weight262.39 g/mol
Exact Mass262.21
IUPAC Name1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]butane
SMILESCCCCOCCOCCOCCOCCCC
InChIInChI=1S/C14H30O4/c1-3-5-7-15-9-11-17-13-14-18-12-10-16-8-6-4-2/h3-14H2,1-2H3
InChIKeyKTSVVTQTKRGWGU-UHFFFAOYSA-N
XLogP2.65
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]butane?
The IUPAC name of 1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]butane (CID 2733908) is 1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]butane.
What is the SMILES notation for 1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]butane?
The canonical SMILES for 1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]butane is CCCCOCCOCCOCCOCCCC.
What is the InChIKey of 1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]butane?
The InChIKey is KTSVVTQTKRGWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4/c1-3-5-7-15-9-11-17-13-14-18-12-10-16-8-6-4-2/h3-14H2,1-2H3.
What are the key properties of 1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]butane?
1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]butane has a molecular weight of 262.39 g/mol, XLogP of 2.65, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]butane is sourced from PubChem (CID 2733908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).