tert-butyl-[3-(1,3-dioxan-2-yl)phenoxy]-dimethylsilane

C16H26O3Si — CID 11358363

IUPACtert-butyl-[3-(1,3-dioxan-2-yl)phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(C2OCCCO2)c1
InChIInChI=1S/C16H26O3Si/c1-16(2,3)20(4,5)19-14-9-6-8-13(12-14)15-17-10-7-11-18-15/h6,8-9,12,15H,7,10-11H2,1-5H3
InChIKeyGPJZMULQCKMTHO-UHFFFAOYSA-N
MW294.47 g/mol
LogP4.51
Rot. Bonds3

About tert-butyl-[3-(1,3-dioxan-2-yl)phenoxy]-dimethylsilane

tert-butyl-[3-(1,3-dioxan-2-yl)phenoxy]-dimethylsilane (PubChem CID 11358363) has the molecular formula C16H26O3Si and a molecular weight of 294.47 g/mol. Its IUPAC name is tert-butyl-[3-(1,3-dioxan-2-yl)phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-(1,3-dioxan-2-yl)phenoxy]-dimethylsilane
PubChem CID11358363
Molecular FormulaC16H26O3Si
Molecular Weight294.47 g/mol
Exact Mass294.17
IUPAC Nametert-butyl-[3-(1,3-dioxan-2-yl)phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(C2OCCCO2)c1
InChIInChI=1S/C16H26O3Si/c1-16(2,3)20(4,5)19-14-9-6-8-13(12-14)15-17-10-7-11-18-15/h6,8-9,12,15H,7,10-11H2,1-5H3
InChIKeyGPJZMULQCKMTHO-UHFFFAOYSA-N
XLogP4.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 54.51
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-[3-(1,3-dioxan-2-yl)phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-(1,3-dioxan-2-yl)phenoxy]-dimethylsilane (CID 11358363) is tert-butyl-[3-(1,3-dioxan-2-yl)phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-(1,3-dioxan-2-yl)phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-(1,3-dioxan-2-yl)phenoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1cccc(C2OCCCO2)c1.
What is the InChIKey of tert-butyl-[3-(1,3-dioxan-2-yl)phenoxy]-dimethylsilane?
The InChIKey is GPJZMULQCKMTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3Si/c1-16(2,3)20(4,5)19-14-9-6-8-13(12-14)15-17-10-7-11-18-15/h6,8-9,12,15H,7,10-11H2,1-5H3.
What are the key properties of tert-butyl-[3-(1,3-dioxan-2-yl)phenoxy]-dimethylsilane?
tert-butyl-[3-(1,3-dioxan-2-yl)phenoxy]-dimethylsilane has a molecular weight of 294.47 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(1,3-dioxan-2-yl)phenoxy]-dimethylsilane is sourced from PubChem (CID 11358363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).