tert-butyl-[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl]oxy-dimethylsilane

C18H40O3Si2 — CID 67885181

IUPACtert-butyl-[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1OCCC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3Si2/c1-17(2,3)22(7,8)20-14-16-15(12-11-13-19-16)21-23(9,10)18(4,5)6/h15-16H,11-14H2,1-10H3/t15-,16+/m1/s1
InChIKeyNDSRMVAGHSBOEM-CVEARBPZSA-N
MW360.69 g/mol
LogP5.58
Rot. Bonds5

About tert-butyl-[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl]oxy-dimethylsilane

tert-butyl-[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl]oxy-dimethylsilane (PubChem CID 67885181) has the molecular formula C18H40O3Si2 and a molecular weight of 360.69 g/mol. Its IUPAC name is tert-butyl-[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl]oxy-dimethylsilane
PubChem CID67885181
Molecular FormulaC18H40O3Si2
Molecular Weight360.69 g/mol
Exact Mass360.25
IUPAC Nametert-butyl-[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1OCCC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3Si2/c1-17(2,3)22(7,8)20-14-16-15(12-11-13-19-16)21-23(9,10)18(4,5)6/h15-16H,11-14H2,1-10H3/t15-,16+/m1/s1
InChIKeyNDSRMVAGHSBOEM-CVEARBPZSA-N
XLogP5.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.69
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl]oxy-dimethylsilane (CID 67885181) is tert-butyl-[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@@H]1OCCC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl]oxy-dimethylsilane?
The InChIKey is NDSRMVAGHSBOEM-CVEARBPZSA-N. The full InChI is InChI=1S/C18H40O3Si2/c1-17(2,3)22(7,8)20-14-16-15(12-11-13-19-16)21-23(9,10)18(4,5)6/h15-16H,11-14H2,1-10H3/t15-,16+/m1/s1.
What are the key properties of tert-butyl-[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl]oxy-dimethylsilane has a molecular weight of 360.69 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 67885181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).