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

C18H38O6 — CID 4162575

IUPAC1-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane
SMILESCCCCOCCOCCOCCOCCOCCOCCCC
InChIInChI=1S/C18H38O6/c1-3-5-7-19-9-11-21-13-15-23-17-18-24-16-14-22-12-10-20-8-6-4-2/h3-18H2,1-2H3
InChIKeyXKSDUDXHYJJQDM-UHFFFAOYSA-N
MW350.50 g/mol
LogP2.69
Rot. Bonds21

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

1-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane (PubChem CID 4162575) has the molecular formula C18H38O6 and a molecular weight of 350.50 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane.

Molecular Properties

Compound Name1-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane
PubChem CID4162575
Molecular FormulaC18H38O6
Molecular Weight350.50 g/mol
Exact Mass350.27
IUPAC Name1-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane
SMILESCCCCOCCOCCOCCOCCOCCOCCCC
InChIInChI=1S/C18H38O6/c1-3-5-7-19-9-11-21-13-15-23-17-18-24-16-14-22-12-10-20-8-6-4-2/h3-18H2,1-2H3
InChIKeyXKSDUDXHYJJQDM-UHFFFAOYSA-N
XLogP2.69
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane?
The IUPAC name of 1-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane (CID 4162575) is 1-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane.
What is the SMILES notation for 1-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane?
The canonical SMILES for 1-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane is CCCCOCCOCCOCCOCCOCCOCCCC.
What is the InChIKey of 1-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane?
The InChIKey is XKSDUDXHYJJQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O6/c1-3-5-7-19-9-11-21-13-15-23-17-18-24-16-14-22-12-10-20-8-6-4-2/h3-18H2,1-2H3.
What are the key properties of 1-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane?
1-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane has a molecular weight of 350.50 g/mol, XLogP of 2.69, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane is sourced from PubChem (CID 4162575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).