1,1,5,5-tetraethoxypent-2-ene

C13H26O4 — CID 86020895

IUPAC1,1,5,5-tetraethoxypent-2-ene
SMILESCCOC(C=CCC(OCC)OCC)OCC
InChIInChI=1S/C13H26O4/c1-5-14-12(15-6-2)10-9-11-13(16-7-3)17-8-4/h9-10,12-13H,5-8,11H2,1-4H3
InChIKeyHUOIUTLENIGUOB-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.73
Rot. Bonds11

About 1,1,5,5-tetraethoxypent-2-ene

1,1,5,5-tetraethoxypent-2-ene (PubChem CID 86020895) has the molecular formula C13H26O4 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1,1,5,5-tetraethoxypent-2-ene.

Molecular Properties

Compound Name1,1,5,5-tetraethoxypent-2-ene
PubChem CID86020895
Molecular FormulaC13H26O4
Molecular Weight246.35 g/mol
Exact Mass246.18
IUPAC Name1,1,5,5-tetraethoxypent-2-ene
SMILESCCOC(C=CCC(OCC)OCC)OCC
InChIInChI=1S/C13H26O4/c1-5-14-12(15-6-2)10-9-11-13(16-7-3)17-8-4/h9-10,12-13H,5-8,11H2,1-4H3
InChIKeyHUOIUTLENIGUOB-UHFFFAOYSA-N
XLogP2.73
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,1,5,5-tetraethoxypent-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,5,5-tetraethoxypent-2-ene?
The IUPAC name of 1,1,5,5-tetraethoxypent-2-ene (CID 86020895) is 1,1,5,5-tetraethoxypent-2-ene.
What is the SMILES notation for 1,1,5,5-tetraethoxypent-2-ene?
The canonical SMILES for 1,1,5,5-tetraethoxypent-2-ene is CCOC(C=CCC(OCC)OCC)OCC.
What is the InChIKey of 1,1,5,5-tetraethoxypent-2-ene?
The InChIKey is HUOIUTLENIGUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4/c1-5-14-12(15-6-2)10-9-11-13(16-7-3)17-8-4/h9-10,12-13H,5-8,11H2,1-4H3.
What are the key properties of 1,1,5,5-tetraethoxypent-2-ene?
1,1,5,5-tetraethoxypent-2-ene has a molecular weight of 246.35 g/mol, XLogP of 2.73, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5,5-tetraethoxypent-2-ene is sourced from PubChem (CID 86020895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).