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

C16H23FOSi2 — CID 73025935

IUPAC(3-fluoro-6-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)-trimethylsilane
SMILESC[Si](C)(C)c1ccc(F)c2c1C1C=CC2([Si](C)(C)C)O1
InChIInChI=1S/C16H23FOSi2/c1-19(2,3)13-8-7-11(17)15-14(13)12-9-10-16(15,18-12)20(4,5)6/h7-10,12H,1-6H3
InChIKeyDGKMLLBQBCBDMO-UHFFFAOYSA-N
MW306.53 g/mol
LogP4.08
Rot. Bonds2

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

(3-fluoro-6-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)-trimethylsilane (PubChem CID 73025935) has the molecular formula C16H23FOSi2 and a molecular weight of 306.53 g/mol. Its IUPAC name is (3-fluoro-6-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)-trimethylsilane.

Molecular Properties

Compound Name(3-fluoro-6-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)-trimethylsilane
PubChem CID73025935
Molecular FormulaC16H23FOSi2
Molecular Weight306.53 g/mol
Exact Mass306.13
IUPAC Name(3-fluoro-6-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)-trimethylsilane
SMILESC[Si](C)(C)c1ccc(F)c2c1C1C=CC2([Si](C)(C)C)O1
InChIInChI=1S/C16H23FOSi2/c1-19(2,3)13-8-7-11(17)15-14(13)12-9-10-16(15,18-12)20(4,5)6/h7-10,12H,1-6H3
InChIKeyDGKMLLBQBCBDMO-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 (3-fluoro-6-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)-trimethylsilane?
The IUPAC name of (3-fluoro-6-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)-trimethylsilane (CID 73025935) is (3-fluoro-6-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)-trimethylsilane.
What is the SMILES notation for (3-fluoro-6-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)-trimethylsilane?
The canonical SMILES for (3-fluoro-6-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)-trimethylsilane is C[Si](C)(C)c1ccc(F)c2c1C1C=CC2([Si](C)(C)C)O1.
What is the InChIKey of (3-fluoro-6-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)-trimethylsilane?
The InChIKey is DGKMLLBQBCBDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FOSi2/c1-19(2,3)13-8-7-11(17)15-14(13)12-9-10-16(15,18-12)20(4,5)6/h7-10,12H,1-6H3.
What are the key properties of (3-fluoro-6-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)-trimethylsilane?
(3-fluoro-6-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-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 (3-fluoro-6-trimethylsilyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)-trimethylsilane is sourced from PubChem (CID 73025935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).