[5-fluoro-2-tris(prop-2-enyl)silyloxypyrimidin-4-yl]oxy-tris(prop-2-enyl)silane

C22H31FN2O2Si2 — CID 67876031

IUPAC[5-fluoro-2-tris(prop-2-enyl)silyloxypyrimidin-4-yl]oxy-tris(prop-2-enyl)silane
SMILESC=CC[Si](CC=C)(CC=C)Oc1ncc(F)c(O[Si](CC=C)(CC=C)CC=C)n1
InChIInChI=1S/C22H31FN2O2Si2/c1-7-13-28(14-8-2,15-9-3)26-21-20(23)19-24-22(25-21)27-29(16-10-4,17-11-5)18-12-6/h7-12,19H,1-6,13-18H2
InChIKeyPKBDQOMIEVJYMI-UHFFFAOYSA-N
MW430.67 g/mol
LogP6.38
Rot. Bonds16

About [5-fluoro-2-tris(prop-2-enyl)silyloxypyrimidin-4-yl]oxy-tris(prop-2-enyl)silane

[5-fluoro-2-tris(prop-2-enyl)silyloxypyrimidin-4-yl]oxy-tris(prop-2-enyl)silane (PubChem CID 67876031) has the molecular formula C22H31FN2O2Si2 and a molecular weight of 430.67 g/mol. Its IUPAC name is [5-fluoro-2-tris(prop-2-enyl)silyloxypyrimidin-4-yl]oxy-tris(prop-2-enyl)silane.

Molecular Properties

Compound Name[5-fluoro-2-tris(prop-2-enyl)silyloxypyrimidin-4-yl]oxy-tris(prop-2-enyl)silane
PubChem CID67876031
Molecular FormulaC22H31FN2O2Si2
Molecular Weight430.67 g/mol
Exact Mass430.19
IUPAC Name[5-fluoro-2-tris(prop-2-enyl)silyloxypyrimidin-4-yl]oxy-tris(prop-2-enyl)silane
SMILESC=CC[Si](CC=C)(CC=C)Oc1ncc(F)c(O[Si](CC=C)(CC=C)CC=C)n1
InChIInChI=1S/C22H31FN2O2Si2/c1-7-13-28(14-8-2,15-9-3)26-21-20(23)19-24-22(25-21)27-29(16-10-4,17-11-5)18-12-6/h7-12,19H,1-6,13-18H2
InChIKeyPKBDQOMIEVJYMI-UHFFFAOYSA-N
XLogP6.38
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.67
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-tris(prop-2-enyl)silyloxypyrimidin-4-yl]oxy-tris(prop-2-enyl)silane?
The IUPAC name of [5-fluoro-2-tris(prop-2-enyl)silyloxypyrimidin-4-yl]oxy-tris(prop-2-enyl)silane (CID 67876031) is [5-fluoro-2-tris(prop-2-enyl)silyloxypyrimidin-4-yl]oxy-tris(prop-2-enyl)silane.
What is the SMILES notation for [5-fluoro-2-tris(prop-2-enyl)silyloxypyrimidin-4-yl]oxy-tris(prop-2-enyl)silane?
The canonical SMILES for [5-fluoro-2-tris(prop-2-enyl)silyloxypyrimidin-4-yl]oxy-tris(prop-2-enyl)silane is C=CC[Si](CC=C)(CC=C)Oc1ncc(F)c(O[Si](CC=C)(CC=C)CC=C)n1.
What is the InChIKey of [5-fluoro-2-tris(prop-2-enyl)silyloxypyrimidin-4-yl]oxy-tris(prop-2-enyl)silane?
The InChIKey is PKBDQOMIEVJYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN2O2Si2/c1-7-13-28(14-8-2,15-9-3)26-21-20(23)19-24-22(25-21)27-29(16-10-4,17-11-5)18-12-6/h7-12,19H,1-6,13-18H2.
What are the key properties of [5-fluoro-2-tris(prop-2-enyl)silyloxypyrimidin-4-yl]oxy-tris(prop-2-enyl)silane?
[5-fluoro-2-tris(prop-2-enyl)silyloxypyrimidin-4-yl]oxy-tris(prop-2-enyl)silane has a molecular weight of 430.67 g/mol, XLogP of 6.38, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-tris(prop-2-enyl)silyloxypyrimidin-4-yl]oxy-tris(prop-2-enyl)silane is sourced from PubChem (CID 67876031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).