1,2,3-tris(prop-1-en-2-yloxy)propane

C12H20O3 — CID 59348391

IUPAC1,2,3-tris(prop-1-en-2-yloxy)propane
SMILESC=C(C)OCC(COC(=C)C)OC(=C)C
InChIInChI=1S/C12H20O3/c1-9(2)13-7-12(15-11(5)6)8-14-10(3)4/h12H,1,3,5,7-8H2,2,4,6H3
InChIKeyZANDWBUOMUBMFQ-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.01
Rot. Bonds8

About 1,2,3-tris(prop-1-en-2-yloxy)propane

1,2,3-tris(prop-1-en-2-yloxy)propane (PubChem CID 59348391) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1,2,3-tris(prop-1-en-2-yloxy)propane.

Molecular Properties

Compound Name1,2,3-tris(prop-1-en-2-yloxy)propane
PubChem CID59348391
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name1,2,3-tris(prop-1-en-2-yloxy)propane
SMILESC=C(C)OCC(COC(=C)C)OC(=C)C
InChIInChI=1S/C12H20O3/c1-9(2)13-7-12(15-11(5)6)8-14-10(3)4/h12H,1,3,5,7-8H2,2,4,6H3
InChIKeyZANDWBUOMUBMFQ-UHFFFAOYSA-N
XLogP3.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.01
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 1,2,3-tris(prop-1-en-2-yloxy)propane?
The IUPAC name of 1,2,3-tris(prop-1-en-2-yloxy)propane (CID 59348391) is 1,2,3-tris(prop-1-en-2-yloxy)propane.
What is the SMILES notation for 1,2,3-tris(prop-1-en-2-yloxy)propane?
The canonical SMILES for 1,2,3-tris(prop-1-en-2-yloxy)propane is C=C(C)OCC(COC(=C)C)OC(=C)C.
What is the InChIKey of 1,2,3-tris(prop-1-en-2-yloxy)propane?
The InChIKey is ZANDWBUOMUBMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-9(2)13-7-12(15-11(5)6)8-14-10(3)4/h12H,1,3,5,7-8H2,2,4,6H3.
What are the key properties of 1,2,3-tris(prop-1-en-2-yloxy)propane?
1,2,3-tris(prop-1-en-2-yloxy)propane has a molecular weight of 212.29 g/mol, XLogP of 3.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tris(prop-1-en-2-yloxy)propane is sourced from PubChem (CID 59348391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).