tert-butyl-dimethyl-[(3S)-5-(methylsulfanylmethoxy)-1-trimethylsilylpent-1-yn-3-yl]oxysilane

C16H34O2SSi2 — CID 99772475

IUPACtert-butyl-dimethyl-[(3S)-5-(methylsulfanylmethoxy)-1-trimethylsilylpent-1-yn-3-yl]oxysilane
SMILESCSCOCC[C@@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2SSi2/c1-16(2,3)21(8,9)18-15(10-12-17-14-19-4)11-13-20(5,6)7/h15H,10,12,14H2,1-9H3/t15-/m0/s1
InChIKeyUDSPDAJITNEKQQ-HNNXBMFYSA-N
MW346.69 g/mol
LogP4.98
Rot. Bonds7

About tert-butyl-dimethyl-[(3S)-5-(methylsulfanylmethoxy)-1-trimethylsilylpent-1-yn-3-yl]oxysilane

tert-butyl-dimethyl-[(3S)-5-(methylsulfanylmethoxy)-1-trimethylsilylpent-1-yn-3-yl]oxysilane (PubChem CID 99772475) has the molecular formula C16H34O2SSi2 and a molecular weight of 346.69 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S)-5-(methylsulfanylmethoxy)-1-trimethylsilylpent-1-yn-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S)-5-(methylsulfanylmethoxy)-1-trimethylsilylpent-1-yn-3-yl]oxysilane
PubChem CID99772475
Molecular FormulaC16H34O2SSi2
Molecular Weight346.69 g/mol
Exact Mass346.18
IUPAC Nametert-butyl-dimethyl-[(3S)-5-(methylsulfanylmethoxy)-1-trimethylsilylpent-1-yn-3-yl]oxysilane
SMILESCSCOCC[C@@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2SSi2/c1-16(2,3)21(8,9)18-15(10-12-17-14-19-4)11-13-20(5,6)7/h15H,10,12,14H2,1-9H3/t15-/m0/s1
InChIKeyUDSPDAJITNEKQQ-HNNXBMFYSA-N
XLogP4.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.69
LogP ≤ 54.98
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': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl-dimethyl-[(3S)-5-(methylsulfanylmethoxy)-1-trimethylsilylpent-1-yn-3-yl]oxysilane 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

trimethyl-[(3R,4S)-3,4,7-tris[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl]silane
CID 10530881
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 15363416
[(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-iodohexa-1,5-diynyl]-trimethylsilane
CID 11628015
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 102314561
ethyl 4,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-2-ynoate
CID 75295434
tert-butyl-[(4S)-dec-5-yn-4-yl]oxy-dimethylsilane
CID 154722512
tert-butyl-(4,4-dimethyl-1-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane
CID 10567903
tert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane
CID 11782316
3,9,11,12-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-1-trimethylsilyldodeca-1,7-diyn-5-ol
CID 72827935
(2S,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-trimethylsilylhex-5-yn-3-ol
CID 101162769
tert-butyl-dimethyl-[(1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-ynoxy]silane
CID 10946011
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1-trimethylsilyloct-1-yn-3-ol
CID 11416604

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3S)-5-(methylsulfanylmethoxy)-1-trimethylsilylpent-1-yn-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3S)-5-(methylsulfanylmethoxy)-1-trimethylsilylpent-1-yn-3-yl]oxysilane (CID 99772475) is tert-butyl-dimethyl-[(3S)-5-(methylsulfanylmethoxy)-1-trimethylsilylpent-1-yn-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S)-5-(methylsulfanylmethoxy)-1-trimethylsilylpent-1-yn-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3S)-5-(methylsulfanylmethoxy)-1-trimethylsilylpent-1-yn-3-yl]oxysilane is CSCOCC[C@@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3S)-5-(methylsulfanylmethoxy)-1-trimethylsilylpent-1-yn-3-yl]oxysilane?
The InChIKey is UDSPDAJITNEKQQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H34O2SSi2/c1-16(2,3)21(8,9)18-15(10-12-17-14-19-4)11-13-20(5,6)7/h15H,10,12,14H2,1-9H3/t15-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(3S)-5-(methylsulfanylmethoxy)-1-trimethylsilylpent-1-yn-3-yl]oxysilane?
tert-butyl-dimethyl-[(3S)-5-(methylsulfanylmethoxy)-1-trimethylsilylpent-1-yn-3-yl]oxysilane has a molecular weight of 346.69 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3S)-5-(methylsulfanylmethoxy)-1-trimethylsilylpent-1-yn-3-yl]oxysilane is sourced from PubChem (CID 99772475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).