trichloro-(2,2-dichloro-1,2-benzoxasilin-3-yl)silane

C8H5Cl5OSi2 — CID 631687

IUPACtrichloro-(2,2-dichloro-1,2-benzoxasilin-3-yl)silane
SMILESCl[Si](Cl)(Cl)C1=Cc2ccccc2O[Si]1(Cl)Cl
InChIInChI=1S/C8H5Cl5OSi2/c9-15(10,11)8-5-6-3-1-2-4-7(6)14-16(8,12)13/h1-5H
InChIKeyPLRKLYMLAWRWMG-UHFFFAOYSA-N
MW350.56 g/mol
LogP4.61
Rot. Bonds1

About trichloro-(2,2-dichloro-1,2-benzoxasilin-3-yl)silane

trichloro-(2,2-dichloro-1,2-benzoxasilin-3-yl)silane (PubChem CID 631687) has the molecular formula C8H5Cl5OSi2 and a molecular weight of 350.56 g/mol. Its IUPAC name is trichloro-(2,2-dichloro-1,2-benzoxasilin-3-yl)silane.

Molecular Properties

Compound Nametrichloro-(2,2-dichloro-1,2-benzoxasilin-3-yl)silane
PubChem CID631687
Molecular FormulaC8H5Cl5OSi2
Molecular Weight350.56 g/mol
Exact Mass347.83
IUPAC Nametrichloro-(2,2-dichloro-1,2-benzoxasilin-3-yl)silane
SMILESCl[Si](Cl)(Cl)C1=Cc2ccccc2O[Si]1(Cl)Cl
InChIInChI=1S/C8H5Cl5OSi2/c9-15(10,11)8-5-6-3-1-2-4-7(6)14-16(8,12)13/h1-5H
InChIKeyPLRKLYMLAWRWMG-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.56
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2'-spirobi[1,3,2-benzodioxasilole]
CID 154732453
(1,1-dimethyl-1-benzosilol-2-yl)-trimethylsilane
CID 10036941
2H-1,2-benzoxazin-3-yl(trimethyl)silane
CID 175984014
2H-1,2-benzoxazin-3-ol
CID 22992156
1a-phenyloxireno[2,3-b]chromene
CID 20536923
3-[4-(2H-chromen-3-yl)phenyl]-2H-chromene
CID 101244851
3-pyrimidin-2-yl-2H-1,2-benzoxazine
CID 171618838
1,2-dihydrocyclopenta[b]chromene
CID 86188664
bis(1,4-benzoxazepin-2-yl)methanone
CID 174424374
[2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate
CID 70002712
2-(2H-chromen-3-yl)pyridine
CID 10859833
2,3-dihydro-1-benzoxepine-4-sulfonyl chloride
CID 75480847

Frequently Asked Questions

What is the IUPAC name of trichloro-(2,2-dichloro-1,2-benzoxasilin-3-yl)silane?
The IUPAC name of trichloro-(2,2-dichloro-1,2-benzoxasilin-3-yl)silane (CID 631687) is trichloro-(2,2-dichloro-1,2-benzoxasilin-3-yl)silane.
What is the SMILES notation for trichloro-(2,2-dichloro-1,2-benzoxasilin-3-yl)silane?
The canonical SMILES for trichloro-(2,2-dichloro-1,2-benzoxasilin-3-yl)silane is Cl[Si](Cl)(Cl)C1=Cc2ccccc2O[Si]1(Cl)Cl.
What is the InChIKey of trichloro-(2,2-dichloro-1,2-benzoxasilin-3-yl)silane?
The InChIKey is PLRKLYMLAWRWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl5OSi2/c9-15(10,11)8-5-6-3-1-2-4-7(6)14-16(8,12)13/h1-5H.
What are the key properties of trichloro-(2,2-dichloro-1,2-benzoxasilin-3-yl)silane?
trichloro-(2,2-dichloro-1,2-benzoxasilin-3-yl)silane has a molecular weight of 350.56 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-(2,2-dichloro-1,2-benzoxasilin-3-yl)silane is sourced from PubChem (CID 631687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).