tert-butyl-dimethyl-[(E,2S)-5-tributylstannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane

C29H64O3Si2Sn — CID 10508301

IUPACtert-butyl-dimethyl-[(E,2S)-5-tributylstannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane
SMILESCCCC[Sn](C/C=C/[C@@H](CO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C)(CCCC)CCCC
InChIInChI=1S/C17H37O3Si2.3C4H9.Sn/c1-10-11-16(14-20-22(8,9)17(2,3)4)19-15-18-12-13-21(5,6)7;3*1-3-4-2;/h10-11,16H,1,12-15H2,2-9H3;3*1,3-4H2,2H3;/b11-10+;;;;/t16-;;;;/m0..../s1
InChIKeyGWZKZMOXDQOIOD-OJIYQKSBSA-N
MW635.71 g/mol
LogP10.11
Rot. Bonds21

About tert-butyl-dimethyl-[(E,2S)-5-tributylstannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane

tert-butyl-dimethyl-[(E,2S)-5-tributylstannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane (PubChem CID 10508301) has the molecular formula C29H64O3Si2Sn and a molecular weight of 635.71 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E,2S)-5-tributylstannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E,2S)-5-tributylstannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane
PubChem CID10508301
Molecular FormulaC29H64O3Si2Sn
Molecular Weight635.71 g/mol
Exact Mass636.34
IUPAC Nametert-butyl-dimethyl-[(E,2S)-5-tributylstannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane
SMILESCCCC[Sn](C/C=C/[C@@H](CO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C)(CCCC)CCCC
InChIInChI=1S/C17H37O3Si2.3C4H9.Sn/c1-10-11-16(14-20-22(8,9)17(2,3)4)19-15-18-12-13-21(5,6)7;3*1-3-4-2;/h10-11,16H,1,12-15H2,2-9H3;3*1,3-4H2,2H3;/b11-10+;;;;/t16-;;;;/m0..../s1
InChIKeyGWZKZMOXDQOIOD-OJIYQKSBSA-N
XLogP10.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.71
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[[(2S,5R)-2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane
CID 15657489
tert-butyl-[[(2R,5R)-2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane
CID 15657490
tert-butyl-[[2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane
CID 134929022
tert-butyl-[(3E,5E)-7-(2-methoxyethoxymethoxy)-2,2-dimethylhepta-3,5-dienoxy]-dimethylsilane
CID 11078856
triethyl-[(6-methoxy-3-triethylsilyloxy-3,6-dihydro-2H-pyran-2-yl)methoxy]silane
CID 20577464
tert-butyl-[(2R)-2-(methoxymethoxy)but-3-enoxy]-dimethylsilane
CID 58405981
tert-butyl-[(Z)-4-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enoxy]-dimethylsilane
CID 59806073
Tert-butyl-[2-(methoxymethoxy)but-3-enoxy]-dimethylsilane
CID 76778047
tert-butyl-[[(2R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane
CID 173844225
[(4S,5S)-5-[(1E,3S,4S,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-1,5-dienyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane
CID 10054323
tert-butyl-dimethyl-[(E,6R)-6-tributylstannyl-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]silane
CID 10532271
tert-butyl-[(2E,4S,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)octa-2,6-dienoxy]-dimethylsilane
CID 10574692

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E,2S)-5-tributylstannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E,2S)-5-tributylstannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane (CID 10508301) is tert-butyl-dimethyl-[(E,2S)-5-tributylstannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E,2S)-5-tributylstannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E,2S)-5-tributylstannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane is CCCC[Sn](C/C=C/[C@@H](CO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C)(CCCC)CCCC.
What is the InChIKey of tert-butyl-dimethyl-[(E,2S)-5-tributylstannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane?
The InChIKey is GWZKZMOXDQOIOD-OJIYQKSBSA-N. The full InChI is InChI=1S/C17H37O3Si2.3C4H9.Sn/c1-10-11-16(14-20-22(8,9)17(2,3)4)19-15-18-12-13-21(5,6)7;3*1-3-4-2;/h10-11,16H,1,12-15H2,2-9H3;3*1,3-4H2,2H3;/b11-10+;;;;/t16-;;;;/m0..../s1.
What are the key properties of tert-butyl-dimethyl-[(E,2S)-5-tributylstannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane?
tert-butyl-dimethyl-[(E,2S)-5-tributylstannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane has a molecular weight of 635.71 g/mol, XLogP of 10.11, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E,2S)-5-tributylstannyl-2-(2-trimethylsilylethoxymethoxy)pent-3-enoxy]silane is sourced from PubChem (CID 10508301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).