5-[3-[3-[2-(2,3-dihydrofuran-5-yl)ethoxy]propoxy]propyl]oxolan-2-one

C16H26O5 — CID 90801981

IUPAC5-[3-[3-[2-(2,3-dihydrofuran-5-yl)ethoxy]propoxy]propyl]oxolan-2-one
SMILESO=C1CCC(CCCOCCCOCCC2=CCCO2)O1
InChIInChI=1S/C16H26O5/c17-16-7-6-15(21-16)5-1-9-18-10-3-11-19-13-8-14-4-2-12-20-14/h4,15H,1-3,5-13H2
InChIKeyIUGLTQDBANGOQN-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.59
Rot. Bonds11

About 5-[3-[3-[2-(2,3-dihydrofuran-5-yl)ethoxy]propoxy]propyl]oxolan-2-one

5-[3-[3-[2-(2,3-dihydrofuran-5-yl)ethoxy]propoxy]propyl]oxolan-2-one (PubChem CID 90801981) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol. Its IUPAC name is 5-[3-[3-[2-(2,3-dihydrofuran-5-yl)ethoxy]propoxy]propyl]oxolan-2-one.

Molecular Properties

Compound Name5-[3-[3-[2-(2,3-dihydrofuran-5-yl)ethoxy]propoxy]propyl]oxolan-2-one
PubChem CID90801981
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Name5-[3-[3-[2-(2,3-dihydrofuran-5-yl)ethoxy]propoxy]propyl]oxolan-2-one
SMILESO=C1CCC(CCCOCCCOCCC2=CCCO2)O1
InChIInChI=1S/C16H26O5/c17-16-7-6-15(21-16)5-1-9-18-10-3-11-19-13-8-14-4-2-12-20-14/h4,15H,1-3,5-13H2
InChIKeyIUGLTQDBANGOQN-UHFFFAOYSA-N
XLogP2.59
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 5-[3-[3-[2-(2,3-dihydrofuran-5-yl)ethoxy]propoxy]propyl]oxolan-2-one?
The IUPAC name of 5-[3-[3-[2-(2,3-dihydrofuran-5-yl)ethoxy]propoxy]propyl]oxolan-2-one (CID 90801981) is 5-[3-[3-[2-(2,3-dihydrofuran-5-yl)ethoxy]propoxy]propyl]oxolan-2-one.
What is the SMILES notation for 5-[3-[3-[2-(2,3-dihydrofuran-5-yl)ethoxy]propoxy]propyl]oxolan-2-one?
The canonical SMILES for 5-[3-[3-[2-(2,3-dihydrofuran-5-yl)ethoxy]propoxy]propyl]oxolan-2-one is O=C1CCC(CCCOCCCOCCC2=CCCO2)O1.
What is the InChIKey of 5-[3-[3-[2-(2,3-dihydrofuran-5-yl)ethoxy]propoxy]propyl]oxolan-2-one?
The InChIKey is IUGLTQDBANGOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O5/c17-16-7-6-15(21-16)5-1-9-18-10-3-11-19-13-8-14-4-2-12-20-14/h4,15H,1-3,5-13H2.
What are the key properties of 5-[3-[3-[2-(2,3-dihydrofuran-5-yl)ethoxy]propoxy]propyl]oxolan-2-one?
5-[3-[3-[2-(2,3-dihydrofuran-5-yl)ethoxy]propoxy]propyl]oxolan-2-one has a molecular weight of 298.38 g/mol, XLogP of 2.59, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-[2-(2,3-dihydrofuran-5-yl)ethoxy]propoxy]propyl]oxolan-2-one is sourced from PubChem (CID 90801981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).