(6-fluoro-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-trimethylsilane

C16H23FOSi2 — CID 134977734

IUPAC(6-fluoro-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-trimethylsilane
SMILESC[Si](C)(C)c1ccc(F)c2c1C1([Si](C)(C)C)C=CC2O1
InChIInChI=1S/C16H23FOSi2/c1-19(2,3)13-8-7-11(17)14-12-9-10-16(18-12,15(13)14)20(4,5)6/h7-10,12H,1-6H3
InChIKeySDNVQXMXYFHFKW-UHFFFAOYSA-N
MW306.53 g/mol
LogP4.08
Rot. Bonds2

About (6-fluoro-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-trimethylsilane

(6-fluoro-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-trimethylsilane (PubChem CID 134977734) has the molecular formula C16H23FOSi2 and a molecular weight of 306.53 g/mol. Its IUPAC name is (6-fluoro-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-trimethylsilane.

Molecular Properties

Compound Name(6-fluoro-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-trimethylsilane
PubChem CID134977734
Molecular FormulaC16H23FOSi2
Molecular Weight306.53 g/mol
Exact Mass306.13
IUPAC Name(6-fluoro-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-trimethylsilane
SMILESC[Si](C)(C)c1ccc(F)c2c1C1([Si](C)(C)C)C=CC2O1
InChIInChI=1S/C16H23FOSi2/c1-19(2,3)13-8-7-11(17)14-12-9-10-16(18-12,15(13)14)20(4,5)6/h7-10,12H,1-6H3
InChIKeySDNVQXMXYFHFKW-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.53
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (6-fluoro-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-trimethylsilane?
The IUPAC name of (6-fluoro-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-trimethylsilane (CID 134977734) is (6-fluoro-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-trimethylsilane.
What is the SMILES notation for (6-fluoro-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-trimethylsilane?
The canonical SMILES for (6-fluoro-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-trimethylsilane is C[Si](C)(C)c1ccc(F)c2c1C1([Si](C)(C)C)C=CC2O1.
What is the InChIKey of (6-fluoro-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-trimethylsilane?
The InChIKey is SDNVQXMXYFHFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FOSi2/c1-19(2,3)13-8-7-11(17)14-12-9-10-16(18-12,15(13)14)20(4,5)6/h7-10,12H,1-6H3.
What are the key properties of (6-fluoro-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-trimethylsilane?
(6-fluoro-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-trimethylsilane has a molecular weight of 306.53 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-trimethylsilane is sourced from PubChem (CID 134977734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).