1,1-dimethyl-2-phenylsulfanylsilolane

C12H18SSi — CID 11096198

IUPAC1,1-dimethyl-2-phenylsulfanylsilolane
SMILESC[Si]1(C)CCCC1Sc1ccccc1
InChIInChI=1S/C12H18SSi/c1-14(2)10-6-9-12(14)13-11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3
InChIKeyRJQMPXQTSZYUOE-UHFFFAOYSA-N
MW222.43 g/mol
LogP4.19
Rot. Bonds2

About 1,1-dimethyl-2-phenylsulfanylsilolane

1,1-dimethyl-2-phenylsulfanylsilolane (PubChem CID 11096198) has the molecular formula C12H18SSi and a molecular weight of 222.43 g/mol. Its IUPAC name is 1,1-dimethyl-2-phenylsulfanylsilolane.

Molecular Properties

Compound Name1,1-dimethyl-2-phenylsulfanylsilolane
PubChem CID11096198
Molecular FormulaC12H18SSi
Molecular Weight222.43 g/mol
Exact Mass222.09
IUPAC Name1,1-dimethyl-2-phenylsulfanylsilolane
SMILESC[Si]1(C)CCCC1Sc1ccccc1
InChIInChI=1S/C12H18SSi/c1-14(2)10-6-9-12(14)13-11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3
InChIKeyRJQMPXQTSZYUOE-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.43
LogP ≤ 54.19
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-dimethyl-2-phenylsulfanylsilolane?
The IUPAC name of 1,1-dimethyl-2-phenylsulfanylsilolane (CID 11096198) is 1,1-dimethyl-2-phenylsulfanylsilolane.
What is the SMILES notation for 1,1-dimethyl-2-phenylsulfanylsilolane?
The canonical SMILES for 1,1-dimethyl-2-phenylsulfanylsilolane is C[Si]1(C)CCCC1Sc1ccccc1.
What is the InChIKey of 1,1-dimethyl-2-phenylsulfanylsilolane?
The InChIKey is RJQMPXQTSZYUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18SSi/c1-14(2)10-6-9-12(14)13-11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3.
What are the key properties of 1,1-dimethyl-2-phenylsulfanylsilolane?
1,1-dimethyl-2-phenylsulfanylsilolane has a molecular weight of 222.43 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-phenylsulfanylsilolane is sourced from PubChem (CID 11096198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).