1,1-diethyl-3-phenyl-3H-2,1-benzoxasilole

C17H20OSi — CID 102266034

IUPAC1,1-diethyl-3-phenyl-3H-2,1-benzoxasilole
SMILESCC[Si]1(CC)OC(c2ccccc2)c2ccccc21
InChIInChI=1S/C17H20OSi/c1-3-19(4-2)16-13-9-8-12-15(16)17(18-19)14-10-6-5-7-11-14/h5-13,17H,3-4H2,1-2H3
InChIKeyUDZGQYKEGKYBHA-UHFFFAOYSA-N
MW268.43 g/mol
LogP4.00
Rot. Bonds3

About 1,1-diethyl-3-phenyl-3H-2,1-benzoxasilole

1,1-diethyl-3-phenyl-3H-2,1-benzoxasilole (PubChem CID 102266034) has the molecular formula C17H20OSi and a molecular weight of 268.43 g/mol. Its IUPAC name is 1,1-diethyl-3-phenyl-3H-2,1-benzoxasilole.

Molecular Properties

Compound Name1,1-diethyl-3-phenyl-3H-2,1-benzoxasilole
PubChem CID102266034
Molecular FormulaC17H20OSi
Molecular Weight268.43 g/mol
Exact Mass268.13
IUPAC Name1,1-diethyl-3-phenyl-3H-2,1-benzoxasilole
SMILESCC[Si]1(CC)OC(c2ccccc2)c2ccccc21
InChIInChI=1S/C17H20OSi/c1-3-19(4-2)16-13-9-8-12-15(16)17(18-19)14-10-6-5-7-11-14/h5-13,17H,3-4H2,1-2H3
InChIKeyUDZGQYKEGKYBHA-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 54.00
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-diethyl-3-phenyl-3H-2,1-benzoxasilole?
The IUPAC name of 1,1-diethyl-3-phenyl-3H-2,1-benzoxasilole (CID 102266034) is 1,1-diethyl-3-phenyl-3H-2,1-benzoxasilole.
What is the SMILES notation for 1,1-diethyl-3-phenyl-3H-2,1-benzoxasilole?
The canonical SMILES for 1,1-diethyl-3-phenyl-3H-2,1-benzoxasilole is CC[Si]1(CC)OC(c2ccccc2)c2ccccc21.
What is the InChIKey of 1,1-diethyl-3-phenyl-3H-2,1-benzoxasilole?
The InChIKey is UDZGQYKEGKYBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20OSi/c1-3-19(4-2)16-13-9-8-12-15(16)17(18-19)14-10-6-5-7-11-14/h5-13,17H,3-4H2,1-2H3.
What are the key properties of 1,1-diethyl-3-phenyl-3H-2,1-benzoxasilole?
1,1-diethyl-3-phenyl-3H-2,1-benzoxasilole has a molecular weight of 268.43 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-phenyl-3H-2,1-benzoxasilole is sourced from PubChem (CID 102266034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).