3-(1-ethoxyethyl)-2-[2-(2-ethoxyoxolan-3-yl)oxolan-3-yl]oxolane

C18H32O5 — CID 19606815

IUPAC3-(1-ethoxyethyl)-2-[2-(2-ethoxyoxolan-3-yl)oxolan-3-yl]oxolane
SMILESCCOC(C)C1CCOC1C1CCOC1C1CCOC1OCC
InChIInChI=1S/C18H32O5/c1-4-19-12(3)13-6-9-21-16(13)14-7-10-22-17(14)15-8-11-23-18(15)20-5-2/h12-18H,4-11H2,1-3H3
InChIKeyNAGLHCXZXVJLFI-UHFFFAOYSA-N
MW328.45 g/mol
LogP2.62
Rot. Bonds7

About 3-(1-ethoxyethyl)-2-[2-(2-ethoxyoxolan-3-yl)oxolan-3-yl]oxolane

3-(1-ethoxyethyl)-2-[2-(2-ethoxyoxolan-3-yl)oxolan-3-yl]oxolane (PubChem CID 19606815) has the molecular formula C18H32O5 and a molecular weight of 328.45 g/mol. Its IUPAC name is 3-(1-ethoxyethyl)-2-[2-(2-ethoxyoxolan-3-yl)oxolan-3-yl]oxolane.

Molecular Properties

Compound Name3-(1-ethoxyethyl)-2-[2-(2-ethoxyoxolan-3-yl)oxolan-3-yl]oxolane
PubChem CID19606815
Molecular FormulaC18H32O5
Molecular Weight328.45 g/mol
Exact Mass328.22
IUPAC Name3-(1-ethoxyethyl)-2-[2-(2-ethoxyoxolan-3-yl)oxolan-3-yl]oxolane
SMILESCCOC(C)C1CCOC1C1CCOC1C1CCOC1OCC
InChIInChI=1S/C18H32O5/c1-4-19-12(3)13-6-9-21-16(13)14-7-10-22-17(14)15-8-11-23-18(15)20-5-2/h12-18H,4-11H2,1-3H3
InChIKeyNAGLHCXZXVJLFI-UHFFFAOYSA-N
XLogP2.62
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethyl)-2-[2-(2-ethoxyoxolan-3-yl)oxolan-3-yl]oxolane?
The IUPAC name of 3-(1-ethoxyethyl)-2-[2-(2-ethoxyoxolan-3-yl)oxolan-3-yl]oxolane (CID 19606815) is 3-(1-ethoxyethyl)-2-[2-(2-ethoxyoxolan-3-yl)oxolan-3-yl]oxolane.
What is the SMILES notation for 3-(1-ethoxyethyl)-2-[2-(2-ethoxyoxolan-3-yl)oxolan-3-yl]oxolane?
The canonical SMILES for 3-(1-ethoxyethyl)-2-[2-(2-ethoxyoxolan-3-yl)oxolan-3-yl]oxolane is CCOC(C)C1CCOC1C1CCOC1C1CCOC1OCC.
What is the InChIKey of 3-(1-ethoxyethyl)-2-[2-(2-ethoxyoxolan-3-yl)oxolan-3-yl]oxolane?
The InChIKey is NAGLHCXZXVJLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O5/c1-4-19-12(3)13-6-9-21-16(13)14-7-10-22-17(14)15-8-11-23-18(15)20-5-2/h12-18H,4-11H2,1-3H3.
What are the key properties of 3-(1-ethoxyethyl)-2-[2-(2-ethoxyoxolan-3-yl)oxolan-3-yl]oxolane?
3-(1-ethoxyethyl)-2-[2-(2-ethoxyoxolan-3-yl)oxolan-3-yl]oxolane has a molecular weight of 328.45 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethyl)-2-[2-(2-ethoxyoxolan-3-yl)oxolan-3-yl]oxolane is sourced from PubChem (CID 19606815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).