2,2-dimethyl-1,3,2-benzodioxasilin-4-one

C9H10O3Si — CID 12696375

IUPAC2,2-dimethyl-1,3,2-benzodioxasilin-4-one
SMILESC[Si]1(C)OC(=O)c2ccccc2O1
InChIInChI=1S/C9H10O3Si/c1-13(2)11-8-6-4-3-5-7(8)9(10)12-13/h3-6H,1-2H3
InChIKeyPYIPVTMVCJRGJU-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.94
Rot. Bonds

About 2,2-dimethyl-1,3,2-benzodioxasilin-4-one

2,2-dimethyl-1,3,2-benzodioxasilin-4-one (PubChem CID 12696375) has the molecular formula C9H10O3Si and a molecular weight of 194.26 g/mol. Its IUPAC name is 2,2-dimethyl-1,3,2-benzodioxasilin-4-one.

Molecular Properties

Compound Name2,2-dimethyl-1,3,2-benzodioxasilin-4-one
PubChem CID12696375
Molecular FormulaC9H10O3Si
Molecular Weight194.26 g/mol
Exact Mass194.04
IUPAC Name2,2-dimethyl-1,3,2-benzodioxasilin-4-one
SMILESC[Si]1(C)OC(=O)c2ccccc2O1
InChIInChI=1S/C9H10O3Si/c1-13(2)11-8-6-4-3-5-7(8)9(10)12-13/h3-6H,1-2H3
InChIKeyPYIPVTMVCJRGJU-UHFFFAOYSA-N
XLogP1.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.94
H-Bond Donors ≤ 50
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 2,2-dimethyl-1,3,2-benzodioxasilin-4-one?
The IUPAC name of 2,2-dimethyl-1,3,2-benzodioxasilin-4-one (CID 12696375) is 2,2-dimethyl-1,3,2-benzodioxasilin-4-one.
What is the SMILES notation for 2,2-dimethyl-1,3,2-benzodioxasilin-4-one?
The canonical SMILES for 2,2-dimethyl-1,3,2-benzodioxasilin-4-one is C[Si]1(C)OC(=O)c2ccccc2O1.
What is the InChIKey of 2,2-dimethyl-1,3,2-benzodioxasilin-4-one?
The InChIKey is PYIPVTMVCJRGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3Si/c1-13(2)11-8-6-4-3-5-7(8)9(10)12-13/h3-6H,1-2H3.
What are the key properties of 2,2-dimethyl-1,3,2-benzodioxasilin-4-one?
2,2-dimethyl-1,3,2-benzodioxasilin-4-one has a molecular weight of 194.26 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3,2-benzodioxasilin-4-one is sourced from PubChem (CID 12696375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).