2-ethoxy-3-[3-[3-(2-ethoxyethyl)oxolan-2-yl]oxolan-2-yl]oxolane

C18H32O5 — CID 67588767

IUPAC2-ethoxy-3-[3-[3-(2-ethoxyethyl)oxolan-2-yl]oxolan-2-yl]oxolane
SMILESCCOCCC1CCOC1C1CCOC1C1CCOC1OCC
InChIInChI=1S/C18H32O5/c1-3-19-9-5-13-6-10-21-16(13)14-7-11-22-17(14)15-8-12-23-18(15)20-4-2/h13-18H,3-12H2,1-2H3
InChIKeyPJMRTUUFEFYQCR-UHFFFAOYSA-N
MW328.45 g/mol
LogP2.62
Rot. Bonds8

About 2-ethoxy-3-[3-[3-(2-ethoxyethyl)oxolan-2-yl]oxolan-2-yl]oxolane

2-ethoxy-3-[3-[3-(2-ethoxyethyl)oxolan-2-yl]oxolan-2-yl]oxolane (PubChem CID 67588767) has the molecular formula C18H32O5 and a molecular weight of 328.45 g/mol. Its IUPAC name is 2-ethoxy-3-[3-[3-(2-ethoxyethyl)oxolan-2-yl]oxolan-2-yl]oxolane.

Molecular Properties

Compound Name2-ethoxy-3-[3-[3-(2-ethoxyethyl)oxolan-2-yl]oxolan-2-yl]oxolane
PubChem CID67588767
Molecular FormulaC18H32O5
Molecular Weight328.45 g/mol
Exact Mass328.22
IUPAC Name2-ethoxy-3-[3-[3-(2-ethoxyethyl)oxolan-2-yl]oxolan-2-yl]oxolane
SMILESCCOCCC1CCOC1C1CCOC1C1CCOC1OCC
InChIInChI=1S/C18H32O5/c1-3-19-9-5-13-6-10-21-16(13)14-7-11-22-17(14)15-8-12-23-18(15)20-4-2/h13-18H,3-12H2,1-2H3
InChIKeyPJMRTUUFEFYQCR-UHFFFAOYSA-N
XLogP2.62
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.62
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 2-ethoxy-3-[3-[3-(2-ethoxyethyl)oxolan-2-yl]oxolan-2-yl]oxolane?
The IUPAC name of 2-ethoxy-3-[3-[3-(2-ethoxyethyl)oxolan-2-yl]oxolan-2-yl]oxolane (CID 67588767) is 2-ethoxy-3-[3-[3-(2-ethoxyethyl)oxolan-2-yl]oxolan-2-yl]oxolane.
What is the SMILES notation for 2-ethoxy-3-[3-[3-(2-ethoxyethyl)oxolan-2-yl]oxolan-2-yl]oxolane?
The canonical SMILES for 2-ethoxy-3-[3-[3-(2-ethoxyethyl)oxolan-2-yl]oxolan-2-yl]oxolane is CCOCCC1CCOC1C1CCOC1C1CCOC1OCC.
What is the InChIKey of 2-ethoxy-3-[3-[3-(2-ethoxyethyl)oxolan-2-yl]oxolan-2-yl]oxolane?
The InChIKey is PJMRTUUFEFYQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O5/c1-3-19-9-5-13-6-10-21-16(13)14-7-11-22-17(14)15-8-12-23-18(15)20-4-2/h13-18H,3-12H2,1-2H3.
What are the key properties of 2-ethoxy-3-[3-[3-(2-ethoxyethyl)oxolan-2-yl]oxolan-2-yl]oxolane?
2-ethoxy-3-[3-[3-(2-ethoxyethyl)oxolan-2-yl]oxolan-2-yl]oxolane has a molecular weight of 328.45 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[3-[3-(2-ethoxyethyl)oxolan-2-yl]oxolan-2-yl]oxolane is sourced from PubChem (CID 67588767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).