3-methyl-3-phenyldioxasilirane

C7H8O2Si — CID 57317747

IUPAC3-methyl-3-phenyldioxasilirane
SMILESC[Si]1(c2ccccc2)OO1
InChIInChI=1S/C7H8O2Si/c1-10(8-9-10)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyZQHQFKXPCULJKE-UHFFFAOYSA-N
MW152.22 g/mol
LogP0.93
Rot. Bonds1

About 3-methyl-3-phenyldioxasilirane

3-methyl-3-phenyldioxasilirane (PubChem CID 57317747) has the molecular formula C7H8O2Si and a molecular weight of 152.22 g/mol. Its IUPAC name is 3-methyl-3-phenyldioxasilirane.

Molecular Properties

Compound Name3-methyl-3-phenyldioxasilirane
PubChem CID57317747
Molecular FormulaC7H8O2Si
Molecular Weight152.22 g/mol
Exact Mass152.03
IUPAC Name3-methyl-3-phenyldioxasilirane
SMILESC[Si]1(c2ccccc2)OO1
InChIInChI=1S/C7H8O2Si/c1-10(8-9-10)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyZQHQFKXPCULJKE-UHFFFAOYSA-N
XLogP0.93
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenyldioxasilirane?
The IUPAC name of 3-methyl-3-phenyldioxasilirane (CID 57317747) is 3-methyl-3-phenyldioxasilirane.
What is the SMILES notation for 3-methyl-3-phenyldioxasilirane?
The canonical SMILES for 3-methyl-3-phenyldioxasilirane is C[Si]1(c2ccccc2)OO1.
What is the InChIKey of 3-methyl-3-phenyldioxasilirane?
The InChIKey is ZQHQFKXPCULJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2Si/c1-10(8-9-10)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 3-methyl-3-phenyldioxasilirane?
3-methyl-3-phenyldioxasilirane has a molecular weight of 152.22 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenyldioxasilirane is sourced from PubChem (CID 57317747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).