2H-1,2-benzoxazin-3-yl(trimethyl)silane

C11H15NOSi — CID 175984014

IUPAC2H-1,2-benzoxazin-3-yl(trimethyl)silane
SMILESC[Si](C)(C)C1=Cc2ccccc2ON1
InChIInChI=1S/C11H15NOSi/c1-14(2,3)11-8-9-6-4-5-7-10(9)13-12-11/h4-8,12H,1-3H3
InChIKeyLYBWUHMGFYPUHF-UHFFFAOYSA-N
MW205.33 g/mol
LogP2.80
Rot. Bonds1

About 2H-1,2-benzoxazin-3-yl(trimethyl)silane

2H-1,2-benzoxazin-3-yl(trimethyl)silane (PubChem CID 175984014) has the molecular formula C11H15NOSi and a molecular weight of 205.33 g/mol. Its IUPAC name is 2H-1,2-benzoxazin-3-yl(trimethyl)silane.

Molecular Properties

Compound Name2H-1,2-benzoxazin-3-yl(trimethyl)silane
PubChem CID175984014
Molecular FormulaC11H15NOSi
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name2H-1,2-benzoxazin-3-yl(trimethyl)silane
SMILESC[Si](C)(C)C1=Cc2ccccc2ON1
InChIInChI=1S/C11H15NOSi/c1-14(2,3)11-8-9-6-4-5-7-10(9)13-12-11/h4-8,12H,1-3H3
InChIKeyLYBWUHMGFYPUHF-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2H-1,2-benzoxazin-3-yl(trimethyl)silane?
The IUPAC name of 2H-1,2-benzoxazin-3-yl(trimethyl)silane (CID 175984014) is 2H-1,2-benzoxazin-3-yl(trimethyl)silane.
What is the SMILES notation for 2H-1,2-benzoxazin-3-yl(trimethyl)silane?
The canonical SMILES for 2H-1,2-benzoxazin-3-yl(trimethyl)silane is C[Si](C)(C)C1=Cc2ccccc2ON1.
What is the InChIKey of 2H-1,2-benzoxazin-3-yl(trimethyl)silane?
The InChIKey is LYBWUHMGFYPUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOSi/c1-14(2,3)11-8-9-6-4-5-7-10(9)13-12-11/h4-8,12H,1-3H3.
What are the key properties of 2H-1,2-benzoxazin-3-yl(trimethyl)silane?
2H-1,2-benzoxazin-3-yl(trimethyl)silane has a molecular weight of 205.33 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,2-benzoxazin-3-yl(trimethyl)silane is sourced from PubChem (CID 175984014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).