3-tritritiosilylpropyl prop-2-enoate

C6H12O2Si — CID 140880581

IUPAC3-tritritiosilylpropyl prop-2-enoate
SMILES[3H][Si]([3H])([3H])CCCOC(=O)C=C
InChIInChI=1S/C6H12O2Si/c1-2-6(7)8-4-3-5-9/h2H,1,3-5H2,9H3/i9T3
InChIKeyXQDFIWLWXYFYOY-GILWNQSFSA-N
MW150.27 g/mol
LogP-0.11
Rot. Bonds5

About 3-tritritiosilylpropyl prop-2-enoate

3-tritritiosilylpropyl prop-2-enoate (PubChem CID 140880581) has the molecular formula C6H12O2Si and a molecular weight of 150.27 g/mol. Its IUPAC name is 3-tritritiosilylpropyl prop-2-enoate.

Molecular Properties

Compound Name3-tritritiosilylpropyl prop-2-enoate
PubChem CID140880581
Molecular FormulaC6H12O2Si
Molecular Weight150.27 g/mol
Exact Mass150.09
IUPAC Name3-tritritiosilylpropyl prop-2-enoate
SMILES[3H][Si]([3H])([3H])CCCOC(=O)C=C
InChIInChI=1S/C6H12O2Si/c1-2-6(7)8-4-3-5-9/h2H,1,3-5H2,9H3/i9T3
InChIKeyXQDFIWLWXYFYOY-GILWNQSFSA-N
XLogP-0.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-tritritiosilylpropyl prop-2-enoate 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 3-tritritiosilylpropyl prop-2-enoate?
The IUPAC name of 3-tritritiosilylpropyl prop-2-enoate (CID 140880581) is 3-tritritiosilylpropyl prop-2-enoate.
What is the SMILES notation for 3-tritritiosilylpropyl prop-2-enoate?
The canonical SMILES for 3-tritritiosilylpropyl prop-2-enoate is [3H][Si]([3H])([3H])CCCOC(=O)C=C.
What is the InChIKey of 3-tritritiosilylpropyl prop-2-enoate?
The InChIKey is XQDFIWLWXYFYOY-GILWNQSFSA-N. The full InChI is InChI=1S/C6H12O2Si/c1-2-6(7)8-4-3-5-9/h2H,1,3-5H2,9H3/i9T3.
What are the key properties of 3-tritritiosilylpropyl prop-2-enoate?
3-tritritiosilylpropyl prop-2-enoate has a molecular weight of 150.27 g/mol, XLogP of -0.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tritritiosilylpropyl prop-2-enoate is sourced from PubChem (CID 140880581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).