2-[tert-butyl(dimethyl)silyl]-2-tributylstannylethenone

C20H42OSiSn — CID 14920827

IUPAC2-[tert-butyl(dimethyl)silyl]-2-tributylstannylethenone
SMILESCCCC[Sn](CCCC)(CCCC)C(=C=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C8H15OSi.3C4H9.Sn/c1-8(2,3)10(4,5)7-6-9;3*1-3-4-2;/h1-5H3;3*1,3-4H2,2H3;
InChIKeyVDFARCVMSJGCMB-UHFFFAOYSA-N
MW445.35 g/mol
LogP7.18
Rot. Bonds11

About 2-[tert-butyl(dimethyl)silyl]-2-tributylstannylethenone

2-[tert-butyl(dimethyl)silyl]-2-tributylstannylethenone (PubChem CID 14920827) has the molecular formula C20H42OSiSn and a molecular weight of 445.35 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]-2-tributylstannylethenone.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]-2-tributylstannylethenone
PubChem CID14920827
Molecular FormulaC20H42OSiSn
Molecular Weight445.35 g/mol
Exact Mass446.20
IUPAC Name2-[tert-butyl(dimethyl)silyl]-2-tributylstannylethenone
SMILESCCCC[Sn](CCCC)(CCCC)C(=C=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C8H15OSi.3C4H9.Sn/c1-8(2,3)10(4,5)7-6-9;3*1-3-4-2;/h1-5H3;3*1,3-4H2,2H3;
InChIKeyVDFARCVMSJGCMB-UHFFFAOYSA-N
XLogP7.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.35
LogP ≤ 57.18
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

(t-Butyldimethylsilyl)trimethylsilylketene
CID 11075174
Ethenone, [(1,1-dimethylethyl)dimethylsilyl]-
CID 11768821
2,2-Bis[tert-butyl(dimethyl)silyl]ethenone
CID 10635781
2-[Tert-butyl(dimethyl)silyl]-2-triethylsilylethenone
CID 10802023
Trimethylsilyl tributylstannyl ketene
CID 14959410
Tert-butyl-dimethyl-(1-tributylstannylethenoxy)silane
CID 15653454
2-[Tert-butyl(dimethyl)silyl]-2-tributylsilylethenone
CID 134919366
2-[Tert-butyl(dimethyl)silyl]-2-tripropylsilylethenone
CID 134919782
2-Methyl-3,3-bis[tri(propan-2-yl)silyl]prop-1-en-1-one
CID 140856616
2-Methyl-3,3-bis(triethylsilyl)prop-1-en-1-one
CID 175786814
2-[Tert-butyl(dimethyl)silyl]-2-tri(propan-2-yl)silylethenone
CID 10828949
2-[Tert-butyl(dimethyl)silyl]-2-trimethylgermylethenone
CID 15502808

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]-2-tributylstannylethenone?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]-2-tributylstannylethenone (CID 14920827) is 2-[tert-butyl(dimethyl)silyl]-2-tributylstannylethenone.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]-2-tributylstannylethenone?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]-2-tributylstannylethenone is CCCC[Sn](CCCC)(CCCC)C(=C=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]-2-tributylstannylethenone?
The InChIKey is VDFARCVMSJGCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15OSi.3C4H9.Sn/c1-8(2,3)10(4,5)7-6-9;3*1-3-4-2;/h1-5H3;3*1,3-4H2,2H3;.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]-2-tributylstannylethenone?
2-[tert-butyl(dimethyl)silyl]-2-tributylstannylethenone has a molecular weight of 445.35 g/mol, XLogP of 7.18, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]-2-tributylstannylethenone is sourced from PubChem (CID 14920827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).