1-(2,2,2-triethoxyethoxy)propane

C11H24O4 — CID 10751414

IUPAC1-(2,2,2-triethoxyethoxy)propane
SMILESCCCOCC(OCC)(OCC)OCC
InChIInChI=1S/C11H24O4/c1-5-9-12-10-11(13-6-2,14-7-3)15-8-4/h5-10H2,1-4H3
InChIKeyDFHFZFSPARGYGT-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.18
Rot. Bonds10

About 1-(2,2,2-triethoxyethoxy)propane

1-(2,2,2-triethoxyethoxy)propane (PubChem CID 10751414) has the molecular formula C11H24O4 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(2,2,2-triethoxyethoxy)propane.

Molecular Properties

Compound Name1-(2,2,2-triethoxyethoxy)propane
PubChem CID10751414
Molecular FormulaC11H24O4
Molecular Weight220.31 g/mol
Exact Mass220.17
IUPAC Name1-(2,2,2-triethoxyethoxy)propane
SMILESCCCOCC(OCC)(OCC)OCC
InChIInChI=1S/C11H24O4/c1-5-9-12-10-11(13-6-2,14-7-3)15-8-4/h5-10H2,1-4H3
InChIKeyDFHFZFSPARGYGT-UHFFFAOYSA-N
XLogP2.18
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-triethoxyethoxy)propane?
The IUPAC name of 1-(2,2,2-triethoxyethoxy)propane (CID 10751414) is 1-(2,2,2-triethoxyethoxy)propane.
What is the SMILES notation for 1-(2,2,2-triethoxyethoxy)propane?
The canonical SMILES for 1-(2,2,2-triethoxyethoxy)propane is CCCOCC(OCC)(OCC)OCC.
What is the InChIKey of 1-(2,2,2-triethoxyethoxy)propane?
The InChIKey is DFHFZFSPARGYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4/c1-5-9-12-10-11(13-6-2,14-7-3)15-8-4/h5-10H2,1-4H3.
What are the key properties of 1-(2,2,2-triethoxyethoxy)propane?
1-(2,2,2-triethoxyethoxy)propane has a molecular weight of 220.31 g/mol, XLogP of 2.18, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-triethoxyethoxy)propane is sourced from PubChem (CID 10751414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).