1,1-dimethyl-3-phenylsiletane

C11H16Si — CID 11332797

IUPAC1,1-dimethyl-3-phenylsiletane
SMILESC[Si]1(C)CC(c2ccccc2)C1
InChIInChI=1S/C11H16Si/c1-12(2)8-11(9-12)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKeyKUUDQJJFHVZLJV-UHFFFAOYSA-N
MW176.34 g/mol
LogP3.49
Rot. Bonds1

About 1,1-dimethyl-3-phenylsiletane

1,1-dimethyl-3-phenylsiletane (PubChem CID 11332797) has the molecular formula C11H16Si and a molecular weight of 176.34 g/mol. Its IUPAC name is 1,1-dimethyl-3-phenylsiletane.

Molecular Properties

Compound Name1,1-dimethyl-3-phenylsiletane
PubChem CID11332797
Molecular FormulaC11H16Si
Molecular Weight176.34 g/mol
Exact Mass176.10
IUPAC Name1,1-dimethyl-3-phenylsiletane
SMILESC[Si]1(C)CC(c2ccccc2)C1
InChIInChI=1S/C11H16Si/c1-12(2)8-11(9-12)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKeyKUUDQJJFHVZLJV-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.34
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-dimethyl-3-phenylsiletane?
The IUPAC name of 1,1-dimethyl-3-phenylsiletane (CID 11332797) is 1,1-dimethyl-3-phenylsiletane.
What is the SMILES notation for 1,1-dimethyl-3-phenylsiletane?
The canonical SMILES for 1,1-dimethyl-3-phenylsiletane is C[Si]1(C)CC(c2ccccc2)C1.
What is the InChIKey of 1,1-dimethyl-3-phenylsiletane?
The InChIKey is KUUDQJJFHVZLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Si/c1-12(2)8-11(9-12)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3.
What are the key properties of 1,1-dimethyl-3-phenylsiletane?
1,1-dimethyl-3-phenylsiletane has a molecular weight of 176.34 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-phenylsiletane is sourced from PubChem (CID 11332797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).