tert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane

C29H64O2Si2Sn — CID 10555844

IUPACtert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane
SMILESCCCC[Sn](C/C=C/[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C17H37O2Si2.3C4H9.Sn/c1-12-13-15(19-21(10,11)17(5,6)7)14-18-20(8,9)16(2,3)4;3*1-3-4-2;/h12-13,15H,1,14H2,2-11H3;3*1,3-4H2,2H3;/b13-12+;;;;/t15-;;;;/m0..../s1
InChIKeyCEZJXEXNYIXWGX-RSXOLTJQSA-N
MW619.71 g/mol
LogP10.80
Rot. Bonds17

About tert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane

tert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane (PubChem CID 10555844) has the molecular formula C29H64O2Si2Sn and a molecular weight of 619.71 g/mol. Its IUPAC name is tert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane
PubChem CID10555844
Molecular FormulaC29H64O2Si2Sn
Molecular Weight619.71 g/mol
Exact Mass620.35
IUPAC Nametert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane
SMILESCCCC[Sn](C/C=C/[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C17H37O2Si2.3C4H9.Sn/c1-12-13-15(19-21(10,11)17(5,6)7)14-18-20(8,9)16(2,3)4;3*1-3-4-2;/h12-13,15H,1,14H2,2-11H3;3*1,3-4H2,2H3;/b13-12+;;;;/t15-;;;;/m0..../s1
InChIKeyCEZJXEXNYIXWGX-RSXOLTJQSA-N
XLogP10.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.71
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-2,6-dien-1-ol
CID 134950412
tert-butyl-[(2E,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,6-dienoxy]-dimethylsilane
CID 5387042
tert-butyl-dimethyl-[(Z,2S)-1-triethylsilyloxydec-4-en-2-yl]oxysilane
CID 11475089
trimethyl-[(1R,2Z,6Z,8R)-8-trimethylsilyloxycycloocta-2,6-dien-1-yl]oxysilane
CID 13049316
tert-butyl-dimethyl-[(Z)-3-tributylstannyl-5-trimethylsilylpent-3-en-2-yl]oxysilane
CID 14006078
tert-butyl-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclobut-2-en-1-yl]oxy-dimethylsilane
CID 101480393
triethyl-[(2E)-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]silane
CID 101567387
[(5S,7E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,7-dien-1-ynyl]-trimethylsilane
CID 134865464
triethyl-[(2E)-1-prop-2-enyl-3-triethylsilyl-5-(trimethylsilylmethyl)hexa-2,5-dienoxy]silane
CID 134945498
tert-butyl-dimethyl-[(Z)-4-trimethylsilyl-3-tri(propan-2-yl)silyloxyhex-4-en-2-yl]oxysilane
CID 135002741
triethyl-[(2E)-5-methyl-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]silane
CID 135020837
triethyl-[(2E,5E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hexa-2,5-dienoxy]silane
CID 135020839

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane (CID 10555844) is tert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane is CCCC[Sn](C/C=C/[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC.
What is the InChIKey of tert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane?
The InChIKey is CEZJXEXNYIXWGX-RSXOLTJQSA-N. The full InChI is InChI=1S/C17H37O2Si2.3C4H9.Sn/c1-12-13-15(19-21(10,11)17(5,6)7)14-18-20(8,9)16(2,3)4;3*1-3-4-2;/h12-13,15H,1,14H2,2-11H3;3*1,3-4H2,2H3;/b13-12+;;;;/t15-;;;;/m0..../s1.
What are the key properties of tert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane?
tert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane has a molecular weight of 619.71 g/mol, XLogP of 10.80, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-3-enoxy]-dimethylsilane is sourced from PubChem (CID 10555844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).