3-trimethylsilyl-1-trimethylstannylprop-2-yn-1-one

C9H18OSiSn — CID 13076465

IUPAC3-trimethylsilyl-1-trimethylstannylprop-2-yn-1-one
SMILESC[Si](C)(C)C#CC(=O)[Sn](C)(C)C
InChIInChI=1S/C6H9OSi.3CH3.Sn/c1-8(2,3)6-4-5-7;;;;/h1-3H3;3*1H3;
InChIKeyVXXKVMPZUMVMIX-UHFFFAOYSA-N
MW289.04 g/mol
LogP2.31
Rot. Bonds1

About 3-trimethylsilyl-1-trimethylstannylprop-2-yn-1-one

3-trimethylsilyl-1-trimethylstannylprop-2-yn-1-one (PubChem CID 13076465) has the molecular formula C9H18OSiSn and a molecular weight of 289.04 g/mol. Its IUPAC name is 3-trimethylsilyl-1-trimethylstannylprop-2-yn-1-one.

Molecular Properties

Compound Name3-trimethylsilyl-1-trimethylstannylprop-2-yn-1-one
PubChem CID13076465
Molecular FormulaC9H18OSiSn
Molecular Weight289.04 g/mol
Exact Mass290.01
IUPAC Name3-trimethylsilyl-1-trimethylstannylprop-2-yn-1-one
SMILESC[Si](C)(C)C#CC(=O)[Sn](C)(C)C
InChIInChI=1S/C6H9OSi.3CH3.Sn/c1-8(2,3)6-4-5-7;;;;/h1-3H3;3*1H3;
InChIKeyVXXKVMPZUMVMIX-UHFFFAOYSA-N
XLogP2.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.04
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[tert-Butyl(dimethyl)silyl]but-2-yn-1-one
CID 12929564
1,3-Bis(trimethylsilyl)prop-2-yn-1-one
CID 3339427
Triethyl(trimethylsilylpropyn-oyl)germane
CID 13284838
1-Trimethylgermyl-3-trimethylsilylprop-2-yn-1-one
CID 13076464
1-Triethylsilylprop-2-yn-1-one
CID 87105517
1-Tri(propan-2-yl)silylprop-2-yn-1-one
CID 88099714
1,5-Bis(trimethylsilyl)penta-2,4-diyn-1-one
CID 49782413

Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilyl-1-trimethylstannylprop-2-yn-1-one?
The IUPAC name of 3-trimethylsilyl-1-trimethylstannylprop-2-yn-1-one (CID 13076465) is 3-trimethylsilyl-1-trimethylstannylprop-2-yn-1-one.
What is the SMILES notation for 3-trimethylsilyl-1-trimethylstannylprop-2-yn-1-one?
The canonical SMILES for 3-trimethylsilyl-1-trimethylstannylprop-2-yn-1-one is C[Si](C)(C)C#CC(=O)[Sn](C)(C)C.
What is the InChIKey of 3-trimethylsilyl-1-trimethylstannylprop-2-yn-1-one?
The InChIKey is VXXKVMPZUMVMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9OSi.3CH3.Sn/c1-8(2,3)6-4-5-7;;;;/h1-3H3;3*1H3;.
What are the key properties of 3-trimethylsilyl-1-trimethylstannylprop-2-yn-1-one?
3-trimethylsilyl-1-trimethylstannylprop-2-yn-1-one has a molecular weight of 289.04 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilyl-1-trimethylstannylprop-2-yn-1-one is sourced from PubChem (CID 13076465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).