trimethylsilyl 3-trimethylsilylprop-2-ynoate

C9H18O2Si2 — CID 593349

IUPACtrimethylsilyl 3-trimethylsilylprop-2-ynoate
SMILESC[Si](C)(C)C#CC(=O)O[Si](C)(C)C
InChIInChI=1S/C9H18O2Si2/c1-12(2,3)8-7-9(10)11-13(4,5)6/h1-6H3
InChIKeyJFBRBBCYDVYGKP-UHFFFAOYSA-N
MW214.41 g/mol
LogP2.25
Rot. Bonds1

About trimethylsilyl 3-trimethylsilylprop-2-ynoate

trimethylsilyl 3-trimethylsilylprop-2-ynoate (PubChem CID 593349) has the molecular formula C9H18O2Si2 and a molecular weight of 214.41 g/mol. Its IUPAC name is trimethylsilyl 3-trimethylsilylprop-2-ynoate.

Molecular Properties

Compound Nametrimethylsilyl 3-trimethylsilylprop-2-ynoate
PubChem CID593349
Molecular FormulaC9H18O2Si2
Molecular Weight214.41 g/mol
Exact Mass214.08
IUPAC Nametrimethylsilyl 3-trimethylsilylprop-2-ynoate
SMILESC[Si](C)(C)C#CC(=O)O[Si](C)(C)C
InChIInChI=1S/C9H18O2Si2/c1-12(2,3)8-7-9(10)11-13(4,5)6/h1-6H3
InChIKeyJFBRBBCYDVYGKP-UHFFFAOYSA-N
XLogP2.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.41
LogP ≤ 52.25
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'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3-trimethylsilylprop-2-ynoate?
The IUPAC name of trimethylsilyl 3-trimethylsilylprop-2-ynoate (CID 593349) is trimethylsilyl 3-trimethylsilylprop-2-ynoate.
What is the SMILES notation for trimethylsilyl 3-trimethylsilylprop-2-ynoate?
The canonical SMILES for trimethylsilyl 3-trimethylsilylprop-2-ynoate is C[Si](C)(C)C#CC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3-trimethylsilylprop-2-ynoate?
The InChIKey is JFBRBBCYDVYGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si2/c1-12(2,3)8-7-9(10)11-13(4,5)6/h1-6H3.
What are the key properties of trimethylsilyl 3-trimethylsilylprop-2-ynoate?
trimethylsilyl 3-trimethylsilylprop-2-ynoate has a molecular weight of 214.41 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-trimethylsilylprop-2-ynoate is sourced from PubChem (CID 593349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).