tert-butyl-[4-(1,3-dioxan-2-yl)-2-methoxyphenoxy]-dimethylsilane

C17H28O4Si — CID 11404571

IUPACtert-butyl-[4-(1,3-dioxan-2-yl)-2-methoxyphenoxy]-dimethylsilane
SMILESCOc1cc(C2OCCCO2)ccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28O4Si/c1-17(2,3)22(5,6)21-14-9-8-13(12-15(14)18-4)16-19-10-7-11-20-16/h8-9,12,16H,7,10-11H2,1-6H3
InChIKeyJCZAVZHKVKOCSJ-UHFFFAOYSA-N
MW324.49 g/mol
LogP4.51
Rot. Bonds4

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

tert-butyl-[4-(1,3-dioxan-2-yl)-2-methoxyphenoxy]-dimethylsilane (PubChem CID 11404571) has the molecular formula C17H28O4Si and a molecular weight of 324.49 g/mol. Its IUPAC name is tert-butyl-[4-(1,3-dioxan-2-yl)-2-methoxyphenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(1,3-dioxan-2-yl)-2-methoxyphenoxy]-dimethylsilane
PubChem CID11404571
Molecular FormulaC17H28O4Si
Molecular Weight324.49 g/mol
Exact Mass324.18
IUPAC Nametert-butyl-[4-(1,3-dioxan-2-yl)-2-methoxyphenoxy]-dimethylsilane
SMILESCOc1cc(C2OCCCO2)ccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28O4Si/c1-17(2,3)22(5,6)21-14-9-8-13(12-15(14)18-4)16-19-10-7-11-20-16/h8-9,12,16H,7,10-11H2,1-6H3
InChIKeyJCZAVZHKVKOCSJ-UHFFFAOYSA-N
XLogP4.51
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 54.51
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-[4-(1,3-dioxan-2-yl)-2-methoxyphenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-(1,3-dioxan-2-yl)-2-methoxyphenoxy]-dimethylsilane (CID 11404571) is tert-butyl-[4-(1,3-dioxan-2-yl)-2-methoxyphenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-(1,3-dioxan-2-yl)-2-methoxyphenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-(1,3-dioxan-2-yl)-2-methoxyphenoxy]-dimethylsilane is COc1cc(C2OCCCO2)ccc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[4-(1,3-dioxan-2-yl)-2-methoxyphenoxy]-dimethylsilane?
The InChIKey is JCZAVZHKVKOCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4Si/c1-17(2,3)22(5,6)21-14-9-8-13(12-15(14)18-4)16-19-10-7-11-20-16/h8-9,12,16H,7,10-11H2,1-6H3.
What are the key properties of tert-butyl-[4-(1,3-dioxan-2-yl)-2-methoxyphenoxy]-dimethylsilane?
tert-butyl-[4-(1,3-dioxan-2-yl)-2-methoxyphenoxy]-dimethylsilane has a molecular weight of 324.49 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(1,3-dioxan-2-yl)-2-methoxyphenoxy]-dimethylsilane is sourced from PubChem (CID 11404571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).