2,3-diethoxybut-2-ene

C8H16O2 — CID 85436427

IUPAC2,3-diethoxybut-2-ene
SMILESCCOC(C)=C(C)OCC
InChIInChI=1S/C8H16O2/c1-5-9-7(3)8(4)10-6-2/h5-6H2,1-4H3
InChIKeyGLEIQNAJUQEOOI-UHFFFAOYSA-N
MW144.21 g/mol
LogP2.31
Rot. Bonds4

About 2,3-diethoxybut-2-ene

2,3-diethoxybut-2-ene (PubChem CID 85436427) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2,3-diethoxybut-2-ene.

Molecular Properties

Compound Name2,3-diethoxybut-2-ene
PubChem CID85436427
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2,3-diethoxybut-2-ene
SMILESCCOC(C)=C(C)OCC
InChIInChI=1S/C8H16O2/c1-5-9-7(3)8(4)10-6-2/h5-6H2,1-4H3
InChIKeyGLEIQNAJUQEOOI-UHFFFAOYSA-N
XLogP2.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethoxybut-2-ene?
The IUPAC name of 2,3-diethoxybut-2-ene (CID 85436427) is 2,3-diethoxybut-2-ene.
What is the SMILES notation for 2,3-diethoxybut-2-ene?
The canonical SMILES for 2,3-diethoxybut-2-ene is CCOC(C)=C(C)OCC.
What is the InChIKey of 2,3-diethoxybut-2-ene?
The InChIKey is GLEIQNAJUQEOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-5-9-7(3)8(4)10-6-2/h5-6H2,1-4H3.
What are the key properties of 2,3-diethoxybut-2-ene?
2,3-diethoxybut-2-ene has a molecular weight of 144.21 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethoxybut-2-ene is sourced from PubChem (CID 85436427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).