1,1,1-tris(ethenoxy)ethane

C8H12O3 — CID 11744867

IUPAC1,1,1-tris(ethenoxy)ethane
SMILESC=COC(C)(OC=C)OC=C
InChIInChI=1S/C8H12O3/c1-5-9-8(4,10-6-2)11-7-3/h5-7H,1-3H2,4H3
InChIKeyHYMLTETUEHGACA-UHFFFAOYSA-N
MW156.18 g/mol
LogP2.14
Rot. Bonds6

About 1,1,1-tris(ethenoxy)ethane

1,1,1-tris(ethenoxy)ethane (PubChem CID 11744867) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1,1,1-tris(ethenoxy)ethane.

Molecular Properties

Compound Name1,1,1-tris(ethenoxy)ethane
PubChem CID11744867
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name1,1,1-tris(ethenoxy)ethane
SMILESC=COC(C)(OC=C)OC=C
InChIInChI=1S/C8H12O3/c1-5-9-8(4,10-6-2)11-7-3/h5-7H,1-3H2,4H3
InChIKeyHYMLTETUEHGACA-UHFFFAOYSA-N
XLogP2.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1,1,1-tris(ethenoxy)ethane?
The IUPAC name of 1,1,1-tris(ethenoxy)ethane (CID 11744867) is 1,1,1-tris(ethenoxy)ethane.
What is the SMILES notation for 1,1,1-tris(ethenoxy)ethane?
The canonical SMILES for 1,1,1-tris(ethenoxy)ethane is C=COC(C)(OC=C)OC=C.
What is the InChIKey of 1,1,1-tris(ethenoxy)ethane?
The InChIKey is HYMLTETUEHGACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-5-9-8(4,10-6-2)11-7-3/h5-7H,1-3H2,4H3.
What are the key properties of 1,1,1-tris(ethenoxy)ethane?
1,1,1-tris(ethenoxy)ethane has a molecular weight of 156.18 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-tris(ethenoxy)ethane is sourced from PubChem (CID 11744867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).