trimethylsilyl 3-trimethylsilylsulfanylpropanoate

C9H22O2SSi2 — CID 637748

IUPACtrimethylsilyl 3-trimethylsilylsulfanylpropanoate
SMILESC[Si](C)(C)OC(=O)CCS[Si](C)(C)C
InChIInChI=1S/C9H22O2SSi2/c1-13(2,3)11-9(10)7-8-12-14(4,5)6/h7-8H2,1-6H3
InChIKeyPUROFOJLQZGUBG-UHFFFAOYSA-N
MW250.51 g/mol
LogP3.32
Rot. Bonds5

About trimethylsilyl 3-trimethylsilylsulfanylpropanoate

trimethylsilyl 3-trimethylsilylsulfanylpropanoate (PubChem CID 637748) has the molecular formula C9H22O2SSi2 and a molecular weight of 250.51 g/mol. Its IUPAC name is trimethylsilyl 3-trimethylsilylsulfanylpropanoate.

Molecular Properties

Compound Nametrimethylsilyl 3-trimethylsilylsulfanylpropanoate
PubChem CID637748
Molecular FormulaC9H22O2SSi2
Molecular Weight250.51 g/mol
Exact Mass250.09
IUPAC Nametrimethylsilyl 3-trimethylsilylsulfanylpropanoate
SMILESC[Si](C)(C)OC(=O)CCS[Si](C)(C)C
InChIInChI=1S/C9H22O2SSi2/c1-13(2,3)11-9(10)7-8-12-14(4,5)6/h7-8H2,1-6H3
InChIKeyPUROFOJLQZGUBG-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.51
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze trimethylsilyl 3-trimethylsilylsulfanylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3-trimethylsilylsulfanylpropanoate?
The IUPAC name of trimethylsilyl 3-trimethylsilylsulfanylpropanoate (CID 637748) is trimethylsilyl 3-trimethylsilylsulfanylpropanoate.
What is the SMILES notation for trimethylsilyl 3-trimethylsilylsulfanylpropanoate?
The canonical SMILES for trimethylsilyl 3-trimethylsilylsulfanylpropanoate is C[Si](C)(C)OC(=O)CCS[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3-trimethylsilylsulfanylpropanoate?
The InChIKey is PUROFOJLQZGUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O2SSi2/c1-13(2,3)11-9(10)7-8-12-14(4,5)6/h7-8H2,1-6H3.
What are the key properties of trimethylsilyl 3-trimethylsilylsulfanylpropanoate?
trimethylsilyl 3-trimethylsilylsulfanylpropanoate has a molecular weight of 250.51 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-trimethylsilylsulfanylpropanoate is sourced from PubChem (CID 637748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).