trimethyl-[methyl-(2-methyl-1,3-benzoxazol-7-yl)-trimethylsilyloxysilyl]oxysilane

C15H27NO3Si3 — CID 140856852

IUPACtrimethyl-[methyl-(2-methyl-1,3-benzoxazol-7-yl)-trimethylsilyloxysilyl]oxysilane
SMILESCc1nc2cccc([Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c2o1
InChIInChI=1S/C15H27NO3Si3/c1-12-16-13-10-9-11-14(15(13)17-12)22(8,18-20(2,3)4)19-21(5,6)7/h9-11H,1-8H3
InChIKeySPUFMUBHGZTKLG-UHFFFAOYSA-N
MW353.64 g/mol
LogP4.12
Rot. Bonds5

About trimethyl-[methyl-(2-methyl-1,3-benzoxazol-7-yl)-trimethylsilyloxysilyl]oxysilane

trimethyl-[methyl-(2-methyl-1,3-benzoxazol-7-yl)-trimethylsilyloxysilyl]oxysilane (PubChem CID 140856852) has the molecular formula C15H27NO3Si3 and a molecular weight of 353.64 g/mol. Its IUPAC name is trimethyl-[methyl-(2-methyl-1,3-benzoxazol-7-yl)-trimethylsilyloxysilyl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[methyl-(2-methyl-1,3-benzoxazol-7-yl)-trimethylsilyloxysilyl]oxysilane
PubChem CID140856852
Molecular FormulaC15H27NO3Si3
Molecular Weight353.64 g/mol
Exact Mass353.13
IUPAC Nametrimethyl-[methyl-(2-methyl-1,3-benzoxazol-7-yl)-trimethylsilyloxysilyl]oxysilane
SMILESCc1nc2cccc([Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c2o1
InChIInChI=1S/C15H27NO3Si3/c1-12-16-13-10-9-11-14(15(13)17-12)22(8,18-20(2,3)4)19-21(5,6)7/h9-11H,1-8H3
InChIKeySPUFMUBHGZTKLG-UHFFFAOYSA-N
XLogP4.12
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.64
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[methyl-(2-methyl-1,3-benzoxazol-7-yl)-trimethylsilyloxysilyl]oxysilane?
The IUPAC name of trimethyl-[methyl-(2-methyl-1,3-benzoxazol-7-yl)-trimethylsilyloxysilyl]oxysilane (CID 140856852) is trimethyl-[methyl-(2-methyl-1,3-benzoxazol-7-yl)-trimethylsilyloxysilyl]oxysilane.
What is the SMILES notation for trimethyl-[methyl-(2-methyl-1,3-benzoxazol-7-yl)-trimethylsilyloxysilyl]oxysilane?
The canonical SMILES for trimethyl-[methyl-(2-methyl-1,3-benzoxazol-7-yl)-trimethylsilyloxysilyl]oxysilane is Cc1nc2cccc([Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c2o1.
What is the InChIKey of trimethyl-[methyl-(2-methyl-1,3-benzoxazol-7-yl)-trimethylsilyloxysilyl]oxysilane?
The InChIKey is SPUFMUBHGZTKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3Si3/c1-12-16-13-10-9-11-14(15(13)17-12)22(8,18-20(2,3)4)19-21(5,6)7/h9-11H,1-8H3.
What are the key properties of trimethyl-[methyl-(2-methyl-1,3-benzoxazol-7-yl)-trimethylsilyloxysilyl]oxysilane?
trimethyl-[methyl-(2-methyl-1,3-benzoxazol-7-yl)-trimethylsilyloxysilyl]oxysilane has a molecular weight of 353.64 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[methyl-(2-methyl-1,3-benzoxazol-7-yl)-trimethylsilyloxysilyl]oxysilane is sourced from PubChem (CID 140856852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).