1-(1,3-benzoxazol-2-yl)octyl-triethylsilane

C21H35NOSi — CID 101481618

IUPAC1-(1,3-benzoxazol-2-yl)octyl-triethylsilane
SMILESCCCCCCCC(c1nc2ccccc2o1)[Si](CC)(CC)CC
InChIInChI=1S/C21H35NOSi/c1-5-9-10-11-12-17-20(24(6-2,7-3)8-4)21-22-18-15-13-14-16-19(18)23-21/h13-16,20H,5-12,17H2,1-4H3
InChIKeyXBSKDQVGGAXIPY-UHFFFAOYSA-N
MW345.60 g/mol
LogP7.32
Rot. Bonds11

About 1-(1,3-benzoxazol-2-yl)octyl-triethylsilane

1-(1,3-benzoxazol-2-yl)octyl-triethylsilane (PubChem CID 101481618) has the molecular formula C21H35NOSi and a molecular weight of 345.60 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)octyl-triethylsilane.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)octyl-triethylsilane
PubChem CID101481618
Molecular FormulaC21H35NOSi
Molecular Weight345.60 g/mol
Exact Mass345.25
IUPAC Name1-(1,3-benzoxazol-2-yl)octyl-triethylsilane
SMILESCCCCCCCC(c1nc2ccccc2o1)[Si](CC)(CC)CC
InChIInChI=1S/C21H35NOSi/c1-5-9-10-11-12-17-20(24(6-2,7-3)8-4)21-22-18-15-13-14-16-19(18)23-21/h13-16,20H,5-12,17H2,1-4H3
InChIKeyXBSKDQVGGAXIPY-UHFFFAOYSA-N
XLogP7.32
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.60
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)octyl-triethylsilane?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)octyl-triethylsilane (CID 101481618) is 1-(1,3-benzoxazol-2-yl)octyl-triethylsilane.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)octyl-triethylsilane?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)octyl-triethylsilane is CCCCCCCC(c1nc2ccccc2o1)[Si](CC)(CC)CC.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)octyl-triethylsilane?
The InChIKey is XBSKDQVGGAXIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NOSi/c1-5-9-10-11-12-17-20(24(6-2,7-3)8-4)21-22-18-15-13-14-16-19(18)23-21/h13-16,20H,5-12,17H2,1-4H3.
What are the key properties of 1-(1,3-benzoxazol-2-yl)octyl-triethylsilane?
1-(1,3-benzoxazol-2-yl)octyl-triethylsilane has a molecular weight of 345.60 g/mol, XLogP of 7.32, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)octyl-triethylsilane is sourced from PubChem (CID 101481618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).