tert-butyl-[[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-1,3-dithiolan-4-yl]methoxy]-dimethylsilane

C18H40O3S2Si2 — CID 10598448

IUPACtert-butyl-[[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-1,3-dithiolan-4-yl]methoxy]-dimethylsilane
SMILESCOC1S[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)S1
InChIInChI=1S/C18H40O3S2Si2/c1-17(2,3)24(8,9)20-12-14-15(23-16(19-7)22-14)13-21-25(10,11)18(4,5)6/h14-16H,12-13H2,1-11H3/t14-,15-/m1/s1
InChIKeyPPWPCMQXZLGZPP-HUUCEWRRSA-N
MW424.82 g/mol
LogP6.18
Rot. Bonds7

About tert-butyl-[[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-1,3-dithiolan-4-yl]methoxy]-dimethylsilane

tert-butyl-[[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-1,3-dithiolan-4-yl]methoxy]-dimethylsilane (PubChem CID 10598448) has the molecular formula C18H40O3S2Si2 and a molecular weight of 424.82 g/mol. Its IUPAC name is tert-butyl-[[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-1,3-dithiolan-4-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-1,3-dithiolan-4-yl]methoxy]-dimethylsilane
PubChem CID10598448
Molecular FormulaC18H40O3S2Si2
Molecular Weight424.82 g/mol
Exact Mass424.20
IUPAC Nametert-butyl-[[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-1,3-dithiolan-4-yl]methoxy]-dimethylsilane
SMILESCOC1S[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)S1
InChIInChI=1S/C18H40O3S2Si2/c1-17(2,3)24(8,9)20-12-14-15(23-16(19-7)22-14)13-21-25(10,11)18(4,5)6/h14-16H,12-13H2,1-11H3/t14-,15-/m1/s1
InChIKeyPPWPCMQXZLGZPP-HUUCEWRRSA-N
XLogP6.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.82
LogP ≤ 56.18
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-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-1,3-dithiolan-4-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-1,3-dithiolan-4-yl]methoxy]-dimethylsilane (CID 10598448) is tert-butyl-[[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-1,3-dithiolan-4-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-1,3-dithiolan-4-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-1,3-dithiolan-4-yl]methoxy]-dimethylsilane is COC1S[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)S1.
What is the InChIKey of tert-butyl-[[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-1,3-dithiolan-4-yl]methoxy]-dimethylsilane?
The InChIKey is PPWPCMQXZLGZPP-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H40O3S2Si2/c1-17(2,3)24(8,9)20-12-14-15(23-16(19-7)22-14)13-21-25(10,11)18(4,5)6/h14-16H,12-13H2,1-11H3/t14-,15-/m1/s1.
What are the key properties of tert-butyl-[[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-1,3-dithiolan-4-yl]methoxy]-dimethylsilane?
tert-butyl-[[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-1,3-dithiolan-4-yl]methoxy]-dimethylsilane has a molecular weight of 424.82 g/mol, XLogP of 6.18, 7 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-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-1,3-dithiolan-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 10598448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).