1,1,3,3-tetraethoxyprop-1-ene

C11H22O4 — CID 11816823

IUPAC1,1,3,3-tetraethoxyprop-1-ene
SMILESCCOC(=CC(OCC)OCC)OCC
InChIInChI=1S/C11H22O4/c1-5-12-10(13-6-2)9-11(14-7-3)15-8-4/h9-10H,5-8H2,1-4H3
InChIKeyXHHFBFNONVXJDJ-UHFFFAOYSA-N
MW218.29 g/mol
LogP2.30
Rot. Bonds9

About 1,1,3,3-tetraethoxyprop-1-ene

1,1,3,3-tetraethoxyprop-1-ene (PubChem CID 11816823) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 1,1,3,3-tetraethoxyprop-1-ene.

Molecular Properties

Compound Name1,1,3,3-tetraethoxyprop-1-ene
PubChem CID11816823
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name1,1,3,3-tetraethoxyprop-1-ene
SMILESCCOC(=CC(OCC)OCC)OCC
InChIInChI=1S/C11H22O4/c1-5-12-10(13-6-2)9-11(14-7-3)15-8-4/h9-10H,5-8H2,1-4H3
InChIKeyXHHFBFNONVXJDJ-UHFFFAOYSA-N
XLogP2.30
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetraethoxyprop-1-ene?
The IUPAC name of 1,1,3,3-tetraethoxyprop-1-ene (CID 11816823) is 1,1,3,3-tetraethoxyprop-1-ene.
What is the SMILES notation for 1,1,3,3-tetraethoxyprop-1-ene?
The canonical SMILES for 1,1,3,3-tetraethoxyprop-1-ene is CCOC(=CC(OCC)OCC)OCC.
What is the InChIKey of 1,1,3,3-tetraethoxyprop-1-ene?
The InChIKey is XHHFBFNONVXJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-5-12-10(13-6-2)9-11(14-7-3)15-8-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 1,1,3,3-tetraethoxyprop-1-ene?
1,1,3,3-tetraethoxyprop-1-ene has a molecular weight of 218.29 g/mol, XLogP of 2.30, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetraethoxyprop-1-ene is sourced from PubChem (CID 11816823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).