3-phenyldioxasilirane

C6H6O2Si — CID 173414769

IUPAC3-phenyldioxasilirane
SMILESc1ccc([SiH]2OO2)cc1
InChIInChI=1S/C6H6O2Si/c1-2-4-6(5-3-1)9-7-8-9/h1-5,9H
InChIKeyIMOFPVMTQFNSJR-UHFFFAOYSA-N
MW138.20 g/mol
LogP0.08
Rot. Bonds1

About 3-phenyldioxasilirane

3-phenyldioxasilirane (PubChem CID 173414769) has the molecular formula C6H6O2Si and a molecular weight of 138.20 g/mol. Its IUPAC name is 3-phenyldioxasilirane.

Molecular Properties

Compound Name3-phenyldioxasilirane
PubChem CID173414769
Molecular FormulaC6H6O2Si
Molecular Weight138.20 g/mol
Exact Mass138.01
IUPAC Name3-phenyldioxasilirane
SMILESc1ccc([SiH]2OO2)cc1
InChIInChI=1S/C6H6O2Si/c1-2-4-6(5-3-1)9-7-8-9/h1-5,9H
InChIKeyIMOFPVMTQFNSJR-UHFFFAOYSA-N
XLogP0.08
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.20
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-1,3,2,4-dioxadisiletane
CID 123360837
2,2,4,4,6,6-hexamethyl-8-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 28342
benzene;2-phenyloxasilinane
CID 174878349
2,2,4,4-tetramethyl-6-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 123845404
diphenyldiazene;hydrofluoride
CID 174857584
magnesium bis(diphenylazanide)
CID 15502538
bis(diphenyldiazene);uranium;vanadium
CID 158886927
tris(diphenylazanide);bis(iron(3+));tribromide
CID 173104294
(123I)iodobenzene
CID 11557480
chlorotitanium(1+);diphenylazanide
CID 59831007
bromo-fluoro-phenylsulfanium
CID 88920909
9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23-tridecaoxa-1,3,5,7,9,11,13,15,17,19-decasilatetracyclo[11.7.1.13,11.15,17]tricosane
CID 123468344

Frequently Asked Questions

What is the IUPAC name of 3-phenyldioxasilirane?
The IUPAC name of 3-phenyldioxasilirane (CID 173414769) is 3-phenyldioxasilirane.
What is the SMILES notation for 3-phenyldioxasilirane?
The canonical SMILES for 3-phenyldioxasilirane is c1ccc([SiH]2OO2)cc1.
What is the InChIKey of 3-phenyldioxasilirane?
The InChIKey is IMOFPVMTQFNSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2Si/c1-2-4-6(5-3-1)9-7-8-9/h1-5,9H.
What are the key properties of 3-phenyldioxasilirane?
3-phenyldioxasilirane has a molecular weight of 138.20 g/mol, XLogP of 0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyldioxasilirane is sourced from PubChem (CID 173414769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).