tert-butyl-[[(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy]-dimethylsilane

C18H30O4Si — CID 134879043

IUPACtert-butyl-[[(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy]-dimethylsilane
SMILESCOc1ccc([C@@H]2OCC[C@H](CO[Si](C)(C)C(C)(C)C)O2)cc1
InChIInChI=1S/C18H30O4Si/c1-18(2,3)23(5,6)21-13-16-11-12-20-17(22-16)14-7-9-15(19-4)10-8-14/h7-10,16-17H,11-13H2,1-6H3/t16-,17-/m1/s1
InChIKeyGTPQZUFXOFNQSY-IAGOWNOFSA-N
MW338.52 g/mol
LogP4.52
Rot. Bonds5

About tert-butyl-[[(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy]-dimethylsilane

tert-butyl-[[(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy]-dimethylsilane (PubChem CID 134879043) has the molecular formula C18H30O4Si and a molecular weight of 338.52 g/mol. Its IUPAC name is tert-butyl-[[(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy]-dimethylsilane
PubChem CID134879043
Molecular FormulaC18H30O4Si
Molecular Weight338.52 g/mol
Exact Mass338.19
IUPAC Nametert-butyl-[[(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy]-dimethylsilane
SMILESCOc1ccc([C@@H]2OCC[C@H](CO[Si](C)(C)C(C)(C)C)O2)cc1
InChIInChI=1S/C18H30O4Si/c1-18(2,3)23(5,6)21-13-16-11-12-20-17(22-16)14-7-9-15(19-4)10-8-14/h7-10,16-17H,11-13H2,1-6H3/t16-,17-/m1/s1
InChIKeyGTPQZUFXOFNQSY-IAGOWNOFSA-N
XLogP4.52
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[[(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy]-dimethylsilane (CID 134879043) is tert-butyl-[[(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy]-dimethylsilane is COc1ccc([C@@H]2OCC[C@H](CO[Si](C)(C)C(C)(C)C)O2)cc1.
What is the InChIKey of tert-butyl-[[(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy]-dimethylsilane?
The InChIKey is GTPQZUFXOFNQSY-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H30O4Si/c1-18(2,3)23(5,6)21-13-16-11-12-20-17(22-16)14-7-9-15(19-4)10-8-14/h7-10,16-17H,11-13H2,1-6H3/t16-,17-/m1/s1.
What are the key properties of tert-butyl-[[(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy]-dimethylsilane has a molecular weight of 338.52 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,4R)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 134879043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).