3-(2H-1,2-benzoxazin-3-yl)propyl-methoxy-methyl-propylsilane

C16H25NO2Si — CID 142715697

IUPAC3-(2H-1,2-benzoxazin-3-yl)propyl-methoxy-methyl-propylsilane
SMILESCCC[Si](C)(CCCC1=Cc2ccccc2ON1)OC
InChIInChI=1S/C16H25NO2Si/c1-4-11-20(3,18-2)12-7-9-15-13-14-8-5-6-10-16(14)19-17-15/h5-6,8,10,13,17H,4,7,9,11-12H2,1-3H3
InChIKeyDJAPGUDIQUCBEZ-UHFFFAOYSA-N
MW291.47 g/mol
LogP4.34
Rot. Bonds7

About 3-(2H-1,2-benzoxazin-3-yl)propyl-methoxy-methyl-propylsilane

3-(2H-1,2-benzoxazin-3-yl)propyl-methoxy-methyl-propylsilane (PubChem CID 142715697) has the molecular formula C16H25NO2Si and a molecular weight of 291.47 g/mol. Its IUPAC name is 3-(2H-1,2-benzoxazin-3-yl)propyl-methoxy-methyl-propylsilane.

Molecular Properties

Compound Name3-(2H-1,2-benzoxazin-3-yl)propyl-methoxy-methyl-propylsilane
PubChem CID142715697
Molecular FormulaC16H25NO2Si
Molecular Weight291.47 g/mol
Exact Mass291.17
IUPAC Name3-(2H-1,2-benzoxazin-3-yl)propyl-methoxy-methyl-propylsilane
SMILESCCC[Si](C)(CCCC1=Cc2ccccc2ON1)OC
InChIInChI=1S/C16H25NO2Si/c1-4-11-20(3,18-2)12-7-9-15-13-14-8-5-6-10-16(14)19-17-15/h5-6,8,10,13,17H,4,7,9,11-12H2,1-3H3
InChIKeyDJAPGUDIQUCBEZ-UHFFFAOYSA-N
XLogP4.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.47
LogP ≤ 54.34
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-(2H-1,2-benzoxazin-3-yl)propyl-methoxy-methyl-propylsilane?
The IUPAC name of 3-(2H-1,2-benzoxazin-3-yl)propyl-methoxy-methyl-propylsilane (CID 142715697) is 3-(2H-1,2-benzoxazin-3-yl)propyl-methoxy-methyl-propylsilane.
What is the SMILES notation for 3-(2H-1,2-benzoxazin-3-yl)propyl-methoxy-methyl-propylsilane?
The canonical SMILES for 3-(2H-1,2-benzoxazin-3-yl)propyl-methoxy-methyl-propylsilane is CCC[Si](C)(CCCC1=Cc2ccccc2ON1)OC.
What is the InChIKey of 3-(2H-1,2-benzoxazin-3-yl)propyl-methoxy-methyl-propylsilane?
The InChIKey is DJAPGUDIQUCBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2Si/c1-4-11-20(3,18-2)12-7-9-15-13-14-8-5-6-10-16(14)19-17-15/h5-6,8,10,13,17H,4,7,9,11-12H2,1-3H3.
What are the key properties of 3-(2H-1,2-benzoxazin-3-yl)propyl-methoxy-methyl-propylsilane?
3-(2H-1,2-benzoxazin-3-yl)propyl-methoxy-methyl-propylsilane has a molecular weight of 291.47 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-1,2-benzoxazin-3-yl)propyl-methoxy-methyl-propylsilane is sourced from PubChem (CID 142715697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).