2,2,3,3-tetraethoxybutane

C12H26O4 — CID 18442121

IUPAC2,2,3,3-tetraethoxybutane
SMILESCCOC(C)(OCC)C(C)(OCC)OCC
InChIInChI=1S/C12H26O4/c1-7-13-11(5,14-8-2)12(6,15-9-3)16-10-4/h7-10H2,1-6H3
InChIKeyQTVQPBOTRAAVSQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.56
Rot. Bonds9

About 2,2,3,3-tetraethoxybutane

2,2,3,3-tetraethoxybutane (PubChem CID 18442121) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2,2,3,3-tetraethoxybutane.

Molecular Properties

Compound Name2,2,3,3-tetraethoxybutane
PubChem CID18442121
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Name2,2,3,3-tetraethoxybutane
SMILESCCOC(C)(OCC)C(C)(OCC)OCC
InChIInChI=1S/C12H26O4/c1-7-13-11(5,14-8-2)12(6,15-9-3)16-10-4/h7-10H2,1-6H3
InChIKeyQTVQPBOTRAAVSQ-UHFFFAOYSA-N
XLogP2.56
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.56
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 2,2,3,3-tetraethoxybutane?
The IUPAC name of 2,2,3,3-tetraethoxybutane (CID 18442121) is 2,2,3,3-tetraethoxybutane.
What is the SMILES notation for 2,2,3,3-tetraethoxybutane?
The canonical SMILES for 2,2,3,3-tetraethoxybutane is CCOC(C)(OCC)C(C)(OCC)OCC.
What is the InChIKey of 2,2,3,3-tetraethoxybutane?
The InChIKey is QTVQPBOTRAAVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4/c1-7-13-11(5,14-8-2)12(6,15-9-3)16-10-4/h7-10H2,1-6H3.
What are the key properties of 2,2,3,3-tetraethoxybutane?
2,2,3,3-tetraethoxybutane has a molecular weight of 234.34 g/mol, XLogP of 2.56, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetraethoxybutane is sourced from PubChem (CID 18442121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).