1,1,2,2-tetraethoxypropane

C11H24O4 — CID 15353857

IUPAC1,1,2,2-tetraethoxypropane
SMILESCCOC(OCC)C(C)(OCC)OCC
InChIInChI=1S/C11H24O4/c1-6-12-10(13-7-2)11(5,14-8-3)15-9-4/h10H,6-9H2,1-5H3
InChIKeyIYLLIHXMHGKVCO-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.17
Rot. Bonds9

About 1,1,2,2-tetraethoxypropane

1,1,2,2-tetraethoxypropane (PubChem CID 15353857) has the molecular formula C11H24O4 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1,1,2,2-tetraethoxypropane.

Molecular Properties

Compound Name1,1,2,2-tetraethoxypropane
PubChem CID15353857
Molecular FormulaC11H24O4
Molecular Weight220.31 g/mol
Exact Mass220.17
IUPAC Name1,1,2,2-tetraethoxypropane
SMILESCCOC(OCC)C(C)(OCC)OCC
InChIInChI=1S/C11H24O4/c1-6-12-10(13-7-2)11(5,14-8-3)15-9-4/h10H,6-9H2,1-5H3
InChIKeyIYLLIHXMHGKVCO-UHFFFAOYSA-N
XLogP2.17
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetraethoxypropane?
The IUPAC name of 1,1,2,2-tetraethoxypropane (CID 15353857) is 1,1,2,2-tetraethoxypropane.
What is the SMILES notation for 1,1,2,2-tetraethoxypropane?
The canonical SMILES for 1,1,2,2-tetraethoxypropane is CCOC(OCC)C(C)(OCC)OCC.
What is the InChIKey of 1,1,2,2-tetraethoxypropane?
The InChIKey is IYLLIHXMHGKVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4/c1-6-12-10(13-7-2)11(5,14-8-3)15-9-4/h10H,6-9H2,1-5H3.
What are the key properties of 1,1,2,2-tetraethoxypropane?
1,1,2,2-tetraethoxypropane has a molecular weight of 220.31 g/mol, XLogP of 2.17, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetraethoxypropane is sourced from PubChem (CID 15353857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).