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'}

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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).