1,1,1-tris(ethenoxy)propane

C9H14O3 — CID 19991081

IUPAC1,1,1-tris(ethenoxy)propane
SMILESC=COC(CC)(OC=C)OC=C
InChIInChI=1S/C9H14O3/c1-5-9(10-6-2,11-7-3)12-8-4/h6-8H,2-5H2,1H3
InChIKeyAIXBIJUQIPJADB-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.53
Rot. Bonds7

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

1,1,1-tris(ethenoxy)propane (PubChem CID 19991081) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1,1,1-tris(ethenoxy)propane.

Molecular Properties

Compound Name1,1,1-tris(ethenoxy)propane
PubChem CID19991081
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name1,1,1-tris(ethenoxy)propane
SMILESC=COC(CC)(OC=C)OC=C
InChIInChI=1S/C9H14O3/c1-5-9(10-6-2,11-7-3)12-8-4/h6-8H,2-5H2,1H3
InChIKeyAIXBIJUQIPJADB-UHFFFAOYSA-N
XLogP2.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.53
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)propane?
The IUPAC name of 1,1,1-tris(ethenoxy)propane (CID 19991081) is 1,1,1-tris(ethenoxy)propane.
What is the SMILES notation for 1,1,1-tris(ethenoxy)propane?
The canonical SMILES for 1,1,1-tris(ethenoxy)propane is C=COC(CC)(OC=C)OC=C.
What is the InChIKey of 1,1,1-tris(ethenoxy)propane?
The InChIKey is AIXBIJUQIPJADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-5-9(10-6-2,11-7-3)12-8-4/h6-8H,2-5H2,1H3.
What are the key properties of 1,1,1-tris(ethenoxy)propane?
1,1,1-tris(ethenoxy)propane has a molecular weight of 170.21 g/mol, XLogP of 2.53, 7 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)propane is sourced from PubChem (CID 19991081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).