8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yloxy(trimethyl)silane

C15H16IOSi+ — CID 89022182

IUPAC8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yloxy(trimethyl)silane
SMILESC[Si](C)(C)Oc1ccc2c(c1)-c1ccccc1[I+]2
InChIInChI=1S/C15H16IOSi/c1-18(2,3)17-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16-15/h4-10H,1-3H3/q+1
InChIKeyJTYJKIAOEUYKQL-UHFFFAOYSA-N
MW367.28 g/mol
LogP1.01
Rot. Bonds2

About 8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yloxy(trimethyl)silane

8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yloxy(trimethyl)silane (PubChem CID 89022182) has the molecular formula C15H16IOSi+ and a molecular weight of 367.28 g/mol. Its IUPAC name is 8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yloxy(trimethyl)silane.

Molecular Properties

Compound Name8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yloxy(trimethyl)silane
PubChem CID89022182
Molecular FormulaC15H16IOSi+
Molecular Weight367.28 g/mol
Exact Mass367.00
IUPAC Name8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yloxy(trimethyl)silane
SMILESC[Si](C)(C)Oc1ccc2c(c1)-c1ccccc1[I+]2
InChIInChI=1S/C15H16IOSi/c1-18(2,3)17-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16-15/h4-10H,1-3H3/q+1
InChIKeyJTYJKIAOEUYKQL-UHFFFAOYSA-N
XLogP1.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yloxy(trimethyl)silane?
The IUPAC name of 8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yloxy(trimethyl)silane (CID 89022182) is 8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yloxy(trimethyl)silane.
What is the SMILES notation for 8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yloxy(trimethyl)silane?
The canonical SMILES for 8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yloxy(trimethyl)silane is C[Si](C)(C)Oc1ccc2c(c1)-c1ccccc1[I+]2.
What is the InChIKey of 8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yloxy(trimethyl)silane?
The InChIKey is JTYJKIAOEUYKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IOSi/c1-18(2,3)17-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16-15/h4-10H,1-3H3/q+1.
What are the key properties of 8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yloxy(trimethyl)silane?
8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yloxy(trimethyl)silane has a molecular weight of 367.28 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yloxy(trimethyl)silane is sourced from PubChem (CID 89022182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).