tert-butyl-dimethyl-[(2S)-1-(2-tributylstannyl-4-pyridinyl)propan-2-yl]oxysilane

C26H51NOSiSn — CID 171062298

IUPACtert-butyl-dimethyl-[(2S)-1-(2-tributylstannyl-4-pyridinyl)propan-2-yl]oxysilane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C[C@H](C)O[Si](C)(C)C(C)(C)C)ccn1
InChIInChI=1S/C14H24NOSi.3C4H9.Sn/c1-12(11-13-7-9-15-10-8-13)16-17(5,6)14(2,3)4;3*1-3-4-2;/h7-9,12H,11H2,1-6H3;3*1,3-4H2,2H3;/t12-;;;;/m0..../s1
InChIKeyDDUSTTULUFXOAS-KCOFNFEMSA-N
MW540.50 g/mol
LogP8.09
Rot. Bonds14

About tert-butyl-dimethyl-[(2S)-1-(2-tributylstannyl-4-pyridinyl)propan-2-yl]oxysilane

tert-butyl-dimethyl-[(2S)-1-(2-tributylstannyl-4-pyridinyl)propan-2-yl]oxysilane (PubChem CID 171062298) has the molecular formula C26H51NOSiSn and a molecular weight of 540.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S)-1-(2-tributylstannyl-4-pyridinyl)propan-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S)-1-(2-tributylstannyl-4-pyridinyl)propan-2-yl]oxysilane
PubChem CID171062298
Molecular FormulaC26H51NOSiSn
Molecular Weight540.50 g/mol
Exact Mass541.28
IUPAC Nametert-butyl-dimethyl-[(2S)-1-(2-tributylstannyl-4-pyridinyl)propan-2-yl]oxysilane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C[C@H](C)O[Si](C)(C)C(C)(C)C)ccn1
InChIInChI=1S/C14H24NOSi.3C4H9.Sn/c1-12(11-13-7-9-15-10-8-13)16-17(5,6)14(2,3)4;3*1-3-4-2;/h7-9,12H,11H2,1-6H3;3*1,3-4H2,2H3;/t12-;;;;/m0..../s1
InChIKeyDDUSTTULUFXOAS-KCOFNFEMSA-N
XLogP8.09
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.50
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(2S)-1-(6-tributylstannylpyrimidin-4-yl)propan-2-yl]oxysilane
CID 171062294
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354
tributyl-(4-ethoxy-2-pyridinyl)stannane
CID 157029644
tributyl-(4-phenyl-2-pyridinyl)stannane
CID 67508437
tert-butyl-[(2R)-1-(2-chloropyrimidin-4-yl)propan-2-yl]oxy-dimethylsilane
CID 171062417
butyl-(4-methyl-2-pyridinyl)-dipentylstannane
CID 170630373
tert-butyl-dimethyl-[2-(6-tributylstannylpyrimidin-4-yl)ethoxy]silane
CID 171062440
tributyl-(6-tributylstannylpyrimidin-4-yl)stannane
CID 86280249
tert-butyl-dimethyl-tridecan-2-yloxysilane
CID 102272520
tert-butyl-dimethyl-pentadecan-2-yloxysilane
CID 6430239
4-[4-[2-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl]benzoic acid
CID 18927891
(E,2S,5R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxynon-3-en-5-amine
CID 11371881

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S)-1-(2-tributylstannyl-4-pyridinyl)propan-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2S)-1-(2-tributylstannyl-4-pyridinyl)propan-2-yl]oxysilane (CID 171062298) is tert-butyl-dimethyl-[(2S)-1-(2-tributylstannyl-4-pyridinyl)propan-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S)-1-(2-tributylstannyl-4-pyridinyl)propan-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2S)-1-(2-tributylstannyl-4-pyridinyl)propan-2-yl]oxysilane is CCCC[Sn](CCCC)(CCCC)c1cc(C[C@H](C)O[Si](C)(C)C(C)(C)C)ccn1.
What is the InChIKey of tert-butyl-dimethyl-[(2S)-1-(2-tributylstannyl-4-pyridinyl)propan-2-yl]oxysilane?
The InChIKey is DDUSTTULUFXOAS-KCOFNFEMSA-N. The full InChI is InChI=1S/C14H24NOSi.3C4H9.Sn/c1-12(11-13-7-9-15-10-8-13)16-17(5,6)14(2,3)4;3*1-3-4-2;/h7-9,12H,11H2,1-6H3;3*1,3-4H2,2H3;/t12-;;;;/m0..../s1.
What are the key properties of tert-butyl-dimethyl-[(2S)-1-(2-tributylstannyl-4-pyridinyl)propan-2-yl]oxysilane?
tert-butyl-dimethyl-[(2S)-1-(2-tributylstannyl-4-pyridinyl)propan-2-yl]oxysilane has a molecular weight of 540.50 g/mol, XLogP of 8.09, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S)-1-(2-tributylstannyl-4-pyridinyl)propan-2-yl]oxysilane is sourced from PubChem (CID 171062298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).