2-(1,1,2-triethoxyethoxy)prop-1-ene

C11H22O4 — CID 91173831

IUPAC2-(1,1,2-triethoxyethoxy)prop-1-ene
SMILESC=C(C)OC(COCC)(OCC)OCC
InChIInChI=1S/C11H22O4/c1-6-12-9-11(13-7-2,14-8-3)15-10(4)5/h4,6-9H2,1-3,5H3
InChIKeyYMHKGEZISFHTDX-UHFFFAOYSA-N
MW218.29 g/mol
LogP2.30
Rot. Bonds9

About 2-(1,1,2-triethoxyethoxy)prop-1-ene

2-(1,1,2-triethoxyethoxy)prop-1-ene (PubChem CID 91173831) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 2-(1,1,2-triethoxyethoxy)prop-1-ene.

Molecular Properties

Compound Name2-(1,1,2-triethoxyethoxy)prop-1-ene
PubChem CID91173831
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name2-(1,1,2-triethoxyethoxy)prop-1-ene
SMILESC=C(C)OC(COCC)(OCC)OCC
InChIInChI=1S/C11H22O4/c1-6-12-9-11(13-7-2,14-8-3)15-10(4)5/h4,6-9H2,1-3,5H3
InChIKeyYMHKGEZISFHTDX-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'}

Analyze 2-(1,1,2-triethoxyethoxy)prop-1-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 2-(1,1,2-triethoxyethoxy)prop-1-ene?
The IUPAC name of 2-(1,1,2-triethoxyethoxy)prop-1-ene (CID 91173831) is 2-(1,1,2-triethoxyethoxy)prop-1-ene.
What is the SMILES notation for 2-(1,1,2-triethoxyethoxy)prop-1-ene?
The canonical SMILES for 2-(1,1,2-triethoxyethoxy)prop-1-ene is C=C(C)OC(COCC)(OCC)OCC.
What is the InChIKey of 2-(1,1,2-triethoxyethoxy)prop-1-ene?
The InChIKey is YMHKGEZISFHTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-6-12-9-11(13-7-2,14-8-3)15-10(4)5/h4,6-9H2,1-3,5H3.
What are the key properties of 2-(1,1,2-triethoxyethoxy)prop-1-ene?
2-(1,1,2-triethoxyethoxy)prop-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 2-(1,1,2-triethoxyethoxy)prop-1-ene is sourced from PubChem (CID 91173831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).