1,1,2-triethoxyethene

C8H16O3 — CID 23120612

IUPAC1,1,2-triethoxyethene
SMILESCCOC=C(OCC)OCC
InChIInChI=1S/C8H16O3/c1-4-9-7-8(10-5-2)11-6-3/h7H,4-6H2,1-3H3
InChIKeySKDYTPBHOGOVME-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.89
Rot. Bonds6

About 1,1,2-triethoxyethene

1,1,2-triethoxyethene (PubChem CID 23120612) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1,1,2-triethoxyethene.

Molecular Properties

Compound Name1,1,2-triethoxyethene
PubChem CID23120612
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1,1,2-triethoxyethene
SMILESCCOC=C(OCC)OCC
InChIInChI=1S/C8H16O3/c1-4-9-7-8(10-5-2)11-6-3/h7H,4-6H2,1-3H3
InChIKeySKDYTPBHOGOVME-UHFFFAOYSA-N
XLogP1.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1,1,2-triethoxyethene?
The IUPAC name of 1,1,2-triethoxyethene (CID 23120612) is 1,1,2-triethoxyethene.
What is the SMILES notation for 1,1,2-triethoxyethene?
The canonical SMILES for 1,1,2-triethoxyethene is CCOC=C(OCC)OCC.
What is the InChIKey of 1,1,2-triethoxyethene?
The InChIKey is SKDYTPBHOGOVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-9-7-8(10-5-2)11-6-3/h7H,4-6H2,1-3H3.
What are the key properties of 1,1,2-triethoxyethene?
1,1,2-triethoxyethene has a molecular weight of 160.21 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-triethoxyethene is sourced from PubChem (CID 23120612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).