1,1-dimethyl-3H-2,1-benzoxasilole

C9H12OSi — CID 13085174

IUPAC1,1-dimethyl-3H-2,1-benzoxasilole
SMILESC[Si]1(C)OCc2ccccc21
InChIInChI=1S/C9H12OSi/c1-11(2)9-6-4-3-5-8(9)7-10-11/h3-6H,7H2,1-2H3
InChIKeyGLZOQCBCUKBUJG-UHFFFAOYSA-N
MW164.28 g/mol
LogP1.63
Rot. Bonds

About 1,1-dimethyl-3H-2,1-benzoxasilole

1,1-dimethyl-3H-2,1-benzoxasilole (PubChem CID 13085174) has the molecular formula C9H12OSi and a molecular weight of 164.28 g/mol. Its IUPAC name is 1,1-dimethyl-3H-2,1-benzoxasilole.

Molecular Properties

Compound Name1,1-dimethyl-3H-2,1-benzoxasilole
PubChem CID13085174
Molecular FormulaC9H12OSi
Molecular Weight164.28 g/mol
Exact Mass164.07
IUPAC Name1,1-dimethyl-3H-2,1-benzoxasilole
SMILESC[Si]1(C)OCc2ccccc21
InChIInChI=1S/C9H12OSi/c1-11(2)9-6-4-3-5-8(9)7-10-11/h3-6H,7H2,1-2H3
InChIKeyGLZOQCBCUKBUJG-UHFFFAOYSA-N
XLogP1.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.28
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,1-dimethyl-3H-2,1-benzoxasilole?
The IUPAC name of 1,1-dimethyl-3H-2,1-benzoxasilole (CID 13085174) is 1,1-dimethyl-3H-2,1-benzoxasilole.
What is the SMILES notation for 1,1-dimethyl-3H-2,1-benzoxasilole?
The canonical SMILES for 1,1-dimethyl-3H-2,1-benzoxasilole is C[Si]1(C)OCc2ccccc21.
What is the InChIKey of 1,1-dimethyl-3H-2,1-benzoxasilole?
The InChIKey is GLZOQCBCUKBUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OSi/c1-11(2)9-6-4-3-5-8(9)7-10-11/h3-6H,7H2,1-2H3.
What are the key properties of 1,1-dimethyl-3H-2,1-benzoxasilole?
1,1-dimethyl-3H-2,1-benzoxasilole has a molecular weight of 164.28 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3H-2,1-benzoxasilole is sourced from PubChem (CID 13085174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).