3,3-dimethyl-1,1-di(propan-2-yl)-2,1-benzoxasilole

C15H24OSi — CID 102298277

IUPAC3,3-dimethyl-1,1-di(propan-2-yl)-2,1-benzoxasilole
SMILESCC(C)[Si]1(C(C)C)OC(C)(C)c2ccccc21
InChIInChI=1S/C15H24OSi/c1-11(2)17(12(3)4)14-10-8-7-9-13(14)15(5,6)16-17/h7-12H,1-6H3
InChIKeyYFHCLTUWRZKUFV-UHFFFAOYSA-N
MW248.44 g/mol
LogP3.92
Rot. Bonds2

About 3,3-dimethyl-1,1-di(propan-2-yl)-2,1-benzoxasilole

3,3-dimethyl-1,1-di(propan-2-yl)-2,1-benzoxasilole (PubChem CID 102298277) has the molecular formula C15H24OSi and a molecular weight of 248.44 g/mol. Its IUPAC name is 3,3-dimethyl-1,1-di(propan-2-yl)-2,1-benzoxasilole.

Molecular Properties

Compound Name3,3-dimethyl-1,1-di(propan-2-yl)-2,1-benzoxasilole
PubChem CID102298277
Molecular FormulaC15H24OSi
Molecular Weight248.44 g/mol
Exact Mass248.16
IUPAC Name3,3-dimethyl-1,1-di(propan-2-yl)-2,1-benzoxasilole
SMILESCC(C)[Si]1(C(C)C)OC(C)(C)c2ccccc21
InChIInChI=1S/C15H24OSi/c1-11(2)17(12(3)4)14-10-8-7-9-13(14)15(5,6)16-17/h7-12H,1-6H3
InChIKeyYFHCLTUWRZKUFV-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 53.92
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 3,3-dimethyl-1,1-di(propan-2-yl)-2,1-benzoxasilole?
The IUPAC name of 3,3-dimethyl-1,1-di(propan-2-yl)-2,1-benzoxasilole (CID 102298277) is 3,3-dimethyl-1,1-di(propan-2-yl)-2,1-benzoxasilole.
What is the SMILES notation for 3,3-dimethyl-1,1-di(propan-2-yl)-2,1-benzoxasilole?
The canonical SMILES for 3,3-dimethyl-1,1-di(propan-2-yl)-2,1-benzoxasilole is CC(C)[Si]1(C(C)C)OC(C)(C)c2ccccc21.
What is the InChIKey of 3,3-dimethyl-1,1-di(propan-2-yl)-2,1-benzoxasilole?
The InChIKey is YFHCLTUWRZKUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24OSi/c1-11(2)17(12(3)4)14-10-8-7-9-13(14)15(5,6)16-17/h7-12H,1-6H3.
What are the key properties of 3,3-dimethyl-1,1-di(propan-2-yl)-2,1-benzoxasilole?
3,3-dimethyl-1,1-di(propan-2-yl)-2,1-benzoxasilole has a molecular weight of 248.44 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1,1-di(propan-2-yl)-2,1-benzoxasilole is sourced from PubChem (CID 102298277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).