1-phenyl-2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decane

C12H14O3Si — CID 13219764

IUPAC1-phenyl-2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decane
SMILESc1ccc([Si]23OC4CC(CC(C4)O2)O3)cc1
InChIInChI=1S/C12H14O3Si/c1-2-4-12(5-3-1)16-13-9-6-10(14-16)8-11(7-9)15-16/h1-5,9-11H,6-8H2
InChIKeyARHTVDFHEGWIGK-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.20
Rot. Bonds1

About 1-phenyl-2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decane

1-phenyl-2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decane (PubChem CID 13219764) has the molecular formula C12H14O3Si and a molecular weight of 234.33 g/mol. Its IUPAC name is 1-phenyl-2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name1-phenyl-2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decane
PubChem CID13219764
Molecular FormulaC12H14O3Si
Molecular Weight234.33 g/mol
Exact Mass234.07
IUPAC Name1-phenyl-2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decane
SMILESc1ccc([Si]23OC4CC(CC(C4)O2)O3)cc1
InChIInChI=1S/C12H14O3Si/c1-2-4-12(5-3-1)16-13-9-6-10(14-16)8-11(7-9)15-16/h1-5,9-11H,6-8H2
InChIKeyARHTVDFHEGWIGK-UHFFFAOYSA-N
XLogP1.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[4-(2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decan-1-yl)phenyl]silane
CID 13219766
2,4,6-trimethyl-2-phenyl-1,3,2-dioxasilinane
CID 14148970
(4R,6S)-4,6-dimethyl-2,2-diphenyloxasilinane
CID 10540894
(4S,7S)-4,7-dibenzyl-2,2-diphenyl-4,7-dihydro-1,3,2-dioxasilepine
CID 10742121
2,2,4,4-tetraphenyl-1,3,2,4-dioxadisiletane
CID 15436049
2,2,4,4,6,6,8,8-octakis-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 139055820
1-phenyl-2,9,10-trioxa-6-aza-1-silabicyclo[4.3.3]dodecane
CID 23278681
CID 136734845
CID 136734845
3-(3,5,7,9,11,13,15-heptakis-phenyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)aniline
CID 140674964
1,1,2,2-tetraphenyldisilinane
CID 86071177
2,4,6,8-tetramethyl-2,4,6,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 6487
2,4,6,8-tetrafluoro-2,4,6,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 122208688

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decane?
The IUPAC name of 1-phenyl-2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decane (CID 13219764) is 1-phenyl-2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 1-phenyl-2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 1-phenyl-2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decane is c1ccc([Si]23OC4CC(CC(C4)O2)O3)cc1.
What is the InChIKey of 1-phenyl-2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decane?
The InChIKey is ARHTVDFHEGWIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3Si/c1-2-4-12(5-3-1)16-13-9-6-10(14-16)8-11(7-9)15-16/h1-5,9-11H,6-8H2.
What are the key properties of 1-phenyl-2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decane?
1-phenyl-2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decane has a molecular weight of 234.33 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 13219764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).