2-tributylstannyl-2-trimethylsilylethenone

C17H36OSiSn — CID 14959410

IUPAC2-tributylstannyl-2-trimethylsilylethenone
SMILESCCCC[Sn](CCCC)(CCCC)C(=C=O)[Si](C)(C)C
InChIInChI=1S/C5H9OSi.3C4H9.Sn/c1-7(2,3)5-4-6;3*1-3-4-2;/h1-3H3;3*1,3-4H2,2H3;
InChIKeyBNBBKIOYYXFJPO-UHFFFAOYSA-N
MW403.27 g/mol
LogP6.01
Rot. Bonds11

About 2-tributylstannyl-2-trimethylsilylethenone

2-tributylstannyl-2-trimethylsilylethenone (PubChem CID 14959410) has the molecular formula C17H36OSiSn and a molecular weight of 403.27 g/mol. Its IUPAC name is 2-tributylstannyl-2-trimethylsilylethenone.

Molecular Properties

Compound Name2-tributylstannyl-2-trimethylsilylethenone
PubChem CID14959410
Molecular FormulaC17H36OSiSn
Molecular Weight403.27 g/mol
Exact Mass404.16
IUPAC Name2-tributylstannyl-2-trimethylsilylethenone
SMILESCCCC[Sn](CCCC)(CCCC)C(=C=O)[Si](C)(C)C
InChIInChI=1S/C5H9OSi.3C4H9.Sn/c1-7(2,3)5-4-6;3*1-3-4-2;/h1-3H3;3*1,3-4H2,2H3;
InChIKeyBNBBKIOYYXFJPO-UHFFFAOYSA-N
XLogP6.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.27
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[Tert-butyl(dimethyl)silyl]-2-tributylstannylethenone
CID 14920827
2-[Tert-butyl(dimethyl)silyl]-2-tributylsilylethenone
CID 134919366
2-[Tert-butyl(dimethyl)silyl]-2-tripropylsilylethenone
CID 134919782
2-[Tert-butyl(dimethyl)silyl]-2-tri(propan-2-yl)silylethenone
CID 10828949
1-(Tributylstannyl)-3-(trimethylsilyl)propan-2-one
CID 71361186
Triethyl(1-tributylstannylethenoxy)silane
CID 177600649

Frequently Asked Questions

What is the IUPAC name of 2-tributylstannyl-2-trimethylsilylethenone?
The IUPAC name of 2-tributylstannyl-2-trimethylsilylethenone (CID 14959410) is 2-tributylstannyl-2-trimethylsilylethenone.
What is the SMILES notation for 2-tributylstannyl-2-trimethylsilylethenone?
The canonical SMILES for 2-tributylstannyl-2-trimethylsilylethenone is CCCC[Sn](CCCC)(CCCC)C(=C=O)[Si](C)(C)C.
What is the InChIKey of 2-tributylstannyl-2-trimethylsilylethenone?
The InChIKey is BNBBKIOYYXFJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9OSi.3C4H9.Sn/c1-7(2,3)5-4-6;3*1-3-4-2;/h1-3H3;3*1,3-4H2,2H3;.
What are the key properties of 2-tributylstannyl-2-trimethylsilylethenone?
2-tributylstannyl-2-trimethylsilylethenone has a molecular weight of 403.27 g/mol, XLogP of 6.01, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tributylstannyl-2-trimethylsilylethenone is sourced from PubChem (CID 14959410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).