tert-butyl-[[(4R,5R)-5-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane

C17H34O3S2Si — CID 11717824

IUPACtert-butyl-[[(4R,5R)-5-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
SMILESCC1(C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CC2SCCCS2)O1
InChIInChI=1S/C17H34O3S2Si/c1-16(2,3)23(6,7)18-12-14-13(19-17(4,5)20-14)11-15-21-9-8-10-22-15/h13-15H,8-12H2,1-7H3/t13-,14-/m1/s1
InChIKeyUADAKQOGBKHJNH-ZIAGYGMSSA-N
MW378.68 g/mol
LogP5.11
Rot. Bonds5

About tert-butyl-[[(4R,5R)-5-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane

tert-butyl-[[(4R,5R)-5-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane (PubChem CID 11717824) has the molecular formula C17H34O3S2Si and a molecular weight of 378.68 g/mol. Its IUPAC name is tert-butyl-[[(4R,5R)-5-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(4R,5R)-5-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
PubChem CID11717824
Molecular FormulaC17H34O3S2Si
Molecular Weight378.68 g/mol
Exact Mass378.17
IUPAC Nametert-butyl-[[(4R,5R)-5-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
SMILESCC1(C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CC2SCCCS2)O1
InChIInChI=1S/C17H34O3S2Si/c1-16(2,3)23(6,7)18-12-14-13(19-17(4,5)20-14)11-15-21-9-8-10-22-15/h13-15H,8-12H2,1-7H3/t13-,14-/m1/s1
InChIKeyUADAKQOGBKHJNH-ZIAGYGMSSA-N
XLogP5.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.68
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(4R,5R)-5-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(4R,5R)-5-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane (CID 11717824) is tert-butyl-[[(4R,5R)-5-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(4R,5R)-5-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(4R,5R)-5-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane is CC1(C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CC2SCCCS2)O1.
What is the InChIKey of tert-butyl-[[(4R,5R)-5-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The InChIKey is UADAKQOGBKHJNH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H34O3S2Si/c1-16(2,3)23(6,7)18-12-14-13(19-17(4,5)20-14)11-15-21-9-8-10-22-15/h13-15H,8-12H2,1-7H3/t13-,14-/m1/s1.
What are the key properties of tert-butyl-[[(4R,5R)-5-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
tert-butyl-[[(4R,5R)-5-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane has a molecular weight of 378.68 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(4R,5R)-5-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 11717824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).