methyl 3-trimethylsilylprop-2-ynoate

C7H12O2Si — CID 560731

IUPACmethyl 3-trimethylsilylprop-2-ynoate
SMILESCOC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C7H12O2Si/c1-9-7(8)5-6-10(2,3)4/h1-4H3
InChIKeyXXGHAMBKHIDZDC-UHFFFAOYSA-N
MW156.26 g/mol
LogP1.04
Rot. Bonds

About methyl 3-trimethylsilylprop-2-ynoate

methyl 3-trimethylsilylprop-2-ynoate (PubChem CID 560731) has the molecular formula C7H12O2Si and a molecular weight of 156.26 g/mol. Its IUPAC name is methyl 3-trimethylsilylprop-2-ynoate.

Molecular Properties

Compound Namemethyl 3-trimethylsilylprop-2-ynoate
PubChem CID560731
Molecular FormulaC7H12O2Si
Molecular Weight156.26 g/mol
Exact Mass156.06
IUPAC Namemethyl 3-trimethylsilylprop-2-ynoate
SMILESCOC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C7H12O2Si/c1-9-7(8)5-6-10(2,3)4/h1-4H3
InChIKeyXXGHAMBKHIDZDC-UHFFFAOYSA-N
XLogP1.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.26
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl 3-trimethylsilylprop-2-ynoate 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 methyl 3-trimethylsilylprop-2-ynoate?
The IUPAC name of methyl 3-trimethylsilylprop-2-ynoate (CID 560731) is methyl 3-trimethylsilylprop-2-ynoate.
What is the SMILES notation for methyl 3-trimethylsilylprop-2-ynoate?
The canonical SMILES for methyl 3-trimethylsilylprop-2-ynoate is COC(=O)C#C[Si](C)(C)C.
What is the InChIKey of methyl 3-trimethylsilylprop-2-ynoate?
The InChIKey is XXGHAMBKHIDZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2Si/c1-9-7(8)5-6-10(2,3)4/h1-4H3.
What are the key properties of methyl 3-trimethylsilylprop-2-ynoate?
methyl 3-trimethylsilylprop-2-ynoate has a molecular weight of 156.26 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-trimethylsilylprop-2-ynoate is sourced from PubChem (CID 560731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).