3,4-dihydro-2H-1,4-benzoxazin-7-yloxy(trimethyl)silane

C11H17NO2Si — CID 167717191

IUPAC3,4-dihydro-2H-1,4-benzoxazin-7-yloxy(trimethyl)silane
SMILESC[Si](C)(C)Oc1ccc2c(c1)OCCN2
InChIInChI=1S/C11H17NO2Si/c1-15(2,3)14-9-4-5-10-11(8-9)13-7-6-12-10/h4-5,8,12H,6-7H2,1-3H3
InChIKeyIVKLOBHNZDUSDN-UHFFFAOYSA-N
MW223.35 g/mol
LogP2.70
Rot. Bonds2

About 3,4-dihydro-2H-1,4-benzoxazin-7-yloxy(trimethyl)silane

3,4-dihydro-2H-1,4-benzoxazin-7-yloxy(trimethyl)silane (PubChem CID 167717191) has the molecular formula C11H17NO2Si and a molecular weight of 223.35 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,4-benzoxazin-7-yloxy(trimethyl)silane.

Molecular Properties

Compound Name3,4-dihydro-2H-1,4-benzoxazin-7-yloxy(trimethyl)silane
PubChem CID167717191
Molecular FormulaC11H17NO2Si
Molecular Weight223.35 g/mol
Exact Mass223.10
IUPAC Name3,4-dihydro-2H-1,4-benzoxazin-7-yloxy(trimethyl)silane
SMILESC[Si](C)(C)Oc1ccc2c(c1)OCCN2
InChIInChI=1S/C11H17NO2Si/c1-15(2,3)14-9-4-5-10-11(8-9)13-7-6-12-10/h4-5,8,12H,6-7H2,1-3H3
InChIKeyIVKLOBHNZDUSDN-UHFFFAOYSA-N
XLogP2.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3,4-dihydro-2H-1,4-benzoxazin-7-yloxy(trimethyl)silane?
The IUPAC name of 3,4-dihydro-2H-1,4-benzoxazin-7-yloxy(trimethyl)silane (CID 167717191) is 3,4-dihydro-2H-1,4-benzoxazin-7-yloxy(trimethyl)silane.
What is the SMILES notation for 3,4-dihydro-2H-1,4-benzoxazin-7-yloxy(trimethyl)silane?
The canonical SMILES for 3,4-dihydro-2H-1,4-benzoxazin-7-yloxy(trimethyl)silane is C[Si](C)(C)Oc1ccc2c(c1)OCCN2.
What is the InChIKey of 3,4-dihydro-2H-1,4-benzoxazin-7-yloxy(trimethyl)silane?
The InChIKey is IVKLOBHNZDUSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2Si/c1-15(2,3)14-9-4-5-10-11(8-9)13-7-6-12-10/h4-5,8,12H,6-7H2,1-3H3.
What are the key properties of 3,4-dihydro-2H-1,4-benzoxazin-7-yloxy(trimethyl)silane?
3,4-dihydro-2H-1,4-benzoxazin-7-yloxy(trimethyl)silane has a molecular weight of 223.35 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,4-benzoxazin-7-yloxy(trimethyl)silane is sourced from PubChem (CID 167717191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).