1-(2-ethoxyethoxy)-5-(4-propoxybutoxy)pentane

C16H34O4 — CID 54336759

IUPAC1-(2-ethoxyethoxy)-5-(4-propoxybutoxy)pentane
SMILESCCCOCCCCOCCCCCOCCOCC
InChIInChI=1S/C16H34O4/c1-3-10-18-13-8-9-14-19-11-6-5-7-12-20-16-15-17-4-2/h3-16H2,1-2H3
InChIKeyUNRBRPLXTGRQHT-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.43
Rot. Bonds17

About 1-(2-ethoxyethoxy)-5-(4-propoxybutoxy)pentane

1-(2-ethoxyethoxy)-5-(4-propoxybutoxy)pentane (PubChem CID 54336759) has the molecular formula C16H34O4 and a molecular weight of 290.44 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)-5-(4-propoxybutoxy)pentane.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)-5-(4-propoxybutoxy)pentane
PubChem CID54336759
Molecular FormulaC16H34O4
Molecular Weight290.44 g/mol
Exact Mass290.25
IUPAC Name1-(2-ethoxyethoxy)-5-(4-propoxybutoxy)pentane
SMILESCCCOCCCCOCCCCCOCCOCC
InChIInChI=1S/C16H34O4/c1-3-10-18-13-8-9-14-19-11-6-5-7-12-20-16-15-17-4-2/h3-16H2,1-2H3
InChIKeyUNRBRPLXTGRQHT-UHFFFAOYSA-N
XLogP3.43
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.43
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-ethoxyethoxy)-5-(4-propoxybutoxy)pentane?
The IUPAC name of 1-(2-ethoxyethoxy)-5-(4-propoxybutoxy)pentane (CID 54336759) is 1-(2-ethoxyethoxy)-5-(4-propoxybutoxy)pentane.
What is the SMILES notation for 1-(2-ethoxyethoxy)-5-(4-propoxybutoxy)pentane?
The canonical SMILES for 1-(2-ethoxyethoxy)-5-(4-propoxybutoxy)pentane is CCCOCCCCOCCCCCOCCOCC.
What is the InChIKey of 1-(2-ethoxyethoxy)-5-(4-propoxybutoxy)pentane?
The InChIKey is UNRBRPLXTGRQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4/c1-3-10-18-13-8-9-14-19-11-6-5-7-12-20-16-15-17-4-2/h3-16H2,1-2H3.
What are the key properties of 1-(2-ethoxyethoxy)-5-(4-propoxybutoxy)pentane?
1-(2-ethoxyethoxy)-5-(4-propoxybutoxy)pentane has a molecular weight of 290.44 g/mol, XLogP of 3.43, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)-5-(4-propoxybutoxy)pentane is sourced from PubChem (CID 54336759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).