2,2,5,5-tetraethoxyhexane

C14H30O4 — CID 42611383

IUPAC2,2,5,5-tetraethoxyhexane
SMILESCCOC(C)(CCC(C)(OCC)OCC)OCC
InChIInChI=1S/C14H30O4/c1-7-15-13(5,16-8-2)11-12-14(6,17-9-3)18-10-4/h7-12H2,1-6H3
InChIKeyQTGBMIYEPGTHON-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.35
Rot. Bonds11

About 2,2,5,5-tetraethoxyhexane

2,2,5,5-tetraethoxyhexane (PubChem CID 42611383) has the molecular formula C14H30O4 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2,2,5,5-tetraethoxyhexane.

Molecular Properties

Compound Name2,2,5,5-tetraethoxyhexane
PubChem CID42611383
Molecular FormulaC14H30O4
Molecular Weight262.39 g/mol
Exact Mass262.21
IUPAC Name2,2,5,5-tetraethoxyhexane
SMILESCCOC(C)(CCC(C)(OCC)OCC)OCC
InChIInChI=1S/C14H30O4/c1-7-15-13(5,16-8-2)11-12-14(6,17-9-3)18-10-4/h7-12H2,1-6H3
InChIKeyQTGBMIYEPGTHON-UHFFFAOYSA-N
XLogP3.35
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.35
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 2,2,5,5-tetraethoxyhexane?
The IUPAC name of 2,2,5,5-tetraethoxyhexane (CID 42611383) is 2,2,5,5-tetraethoxyhexane.
What is the SMILES notation for 2,2,5,5-tetraethoxyhexane?
The canonical SMILES for 2,2,5,5-tetraethoxyhexane is CCOC(C)(CCC(C)(OCC)OCC)OCC.
What is the InChIKey of 2,2,5,5-tetraethoxyhexane?
The InChIKey is QTGBMIYEPGTHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4/c1-7-15-13(5,16-8-2)11-12-14(6,17-9-3)18-10-4/h7-12H2,1-6H3.
What are the key properties of 2,2,5,5-tetraethoxyhexane?
2,2,5,5-tetraethoxyhexane has a molecular weight of 262.39 g/mol, XLogP of 3.35, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetraethoxyhexane is sourced from PubChem (CID 42611383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).