1,2,3-tris[(E)-prop-1-enoxy]propane

C12H20O3 — CID 22051876

IUPAC1,2,3-tris[(E)-prop-1-enoxy]propane
SMILESC/C=C/OCC(CO/C=C/C)O/C=C/C
InChIInChI=1S/C12H20O3/c1-4-7-13-10-12(15-9-6-3)11-14-8-5-2/h4-9,12H,10-11H2,1-3H3/b7-4+,8-5+,9-6+
InChIKeyCGNGSILLCOCEJH-OTWDQPKHSA-N
MW212.29 g/mol
LogP3.01
Rot. Bonds8

About 1,2,3-tris[(E)-prop-1-enoxy]propane

1,2,3-tris[(E)-prop-1-enoxy]propane (PubChem CID 22051876) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1,2,3-tris[(E)-prop-1-enoxy]propane.

Molecular Properties

Compound Name1,2,3-tris[(E)-prop-1-enoxy]propane
PubChem CID22051876
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name1,2,3-tris[(E)-prop-1-enoxy]propane
SMILESC/C=C/OCC(CO/C=C/C)O/C=C/C
InChIInChI=1S/C12H20O3/c1-4-7-13-10-12(15-9-6-3)11-14-8-5-2/h4-9,12H,10-11H2,1-3H3/b7-4+,8-5+,9-6+
InChIKeyCGNGSILLCOCEJH-OTWDQPKHSA-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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Related Compounds

1,2-Epoxy-3-(propenyloxy)propane
CID 6436935
2-[(1-Propen-1-yloxy)methyl]oxirane
CID 102656
2-[[(Z)-prop-1-enoxy]methyl]oxirane
CID 11126219
1,2,3-Tris(1-propenoxy)propane
CID 53719872
1-{2-[(Prop-1-en-1-yl)oxy]ethoxy}prop-1-ene
CID 53933835
6-Methyl-2-(1-propenyloxymethyl)-2,3-dihydro-1,4-dioxine
CID 129742042
6-Methyl-2-[2-(vinyloxy)ethoxymethyl]-2,3-dihydro-1,4-dioxine
CID 129742258
(Z)-1-[2-[(Z)-prop-1-enoxy]ethoxy]prop-1-ene
CID 162397562
1-[2-[(E)-prop-1-enoxy]ethoxy]propane
CID 21337116
(E)-1-[2-[(E)-prop-1-enoxy]ethoxy]prop-1-ene
CID 21987540
1,3-bis[(E)-prop-1-enoxy]propane
CID 22345702
2-[(E)-prop-1-enoxy]ethoxycyclopropane
CID 23556503

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tris[(E)-prop-1-enoxy]propane?
The IUPAC name of 1,2,3-tris[(E)-prop-1-enoxy]propane (CID 22051876) is 1,2,3-tris[(E)-prop-1-enoxy]propane.
What is the SMILES notation for 1,2,3-tris[(E)-prop-1-enoxy]propane?
The canonical SMILES for 1,2,3-tris[(E)-prop-1-enoxy]propane is C/C=C/OCC(CO/C=C/C)O/C=C/C.
What is the InChIKey of 1,2,3-tris[(E)-prop-1-enoxy]propane?
The InChIKey is CGNGSILLCOCEJH-OTWDQPKHSA-N. The full InChI is InChI=1S/C12H20O3/c1-4-7-13-10-12(15-9-6-3)11-14-8-5-2/h4-9,12H,10-11H2,1-3H3/b7-4+,8-5+,9-6+.
What are the key properties of 1,2,3-tris[(E)-prop-1-enoxy]propane?
1,2,3-tris[(E)-prop-1-enoxy]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[(E)-prop-1-enoxy]propane is sourced from PubChem (CID 22051876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).