tert-butyl-[1-(3,4-dihydro-2H-pyran-2-yl)propoxy]-dimethylsilane

C14H28O2Si — CID 58063651

IUPACtert-butyl-[1-(3,4-dihydro-2H-pyran-2-yl)propoxy]-dimethylsilane
SMILESCCC(O[Si](C)(C)C(C)(C)C)C1CCC=CO1
InChIInChI=1S/C14H28O2Si/c1-7-12(13-10-8-9-11-15-13)16-17(5,6)14(2,3)4/h9,11-13H,7-8,10H2,1-6H3
InChIKeyDGFVBJLYEXYHDX-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.48
Rot. Bonds4

About tert-butyl-[1-(3,4-dihydro-2H-pyran-2-yl)propoxy]-dimethylsilane

tert-butyl-[1-(3,4-dihydro-2H-pyran-2-yl)propoxy]-dimethylsilane (PubChem CID 58063651) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is tert-butyl-[1-(3,4-dihydro-2H-pyran-2-yl)propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-(3,4-dihydro-2H-pyran-2-yl)propoxy]-dimethylsilane
PubChem CID58063651
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Nametert-butyl-[1-(3,4-dihydro-2H-pyran-2-yl)propoxy]-dimethylsilane
SMILESCCC(O[Si](C)(C)C(C)(C)C)C1CCC=CO1
InChIInChI=1S/C14H28O2Si/c1-7-12(13-10-8-9-11-15-13)16-17(5,6)14(2,3)4/h9,11-13H,7-8,10H2,1-6H3
InChIKeyDGFVBJLYEXYHDX-UHFFFAOYSA-N
XLogP4.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[1-(3,4-dihydro-2H-pyran-2-yl)propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1-(3,4-dihydro-2H-pyran-2-yl)propoxy]-dimethylsilane (CID 58063651) is tert-butyl-[1-(3,4-dihydro-2H-pyran-2-yl)propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-(3,4-dihydro-2H-pyran-2-yl)propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-(3,4-dihydro-2H-pyran-2-yl)propoxy]-dimethylsilane is CCC(O[Si](C)(C)C(C)(C)C)C1CCC=CO1.
What is the InChIKey of tert-butyl-[1-(3,4-dihydro-2H-pyran-2-yl)propoxy]-dimethylsilane?
The InChIKey is DGFVBJLYEXYHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-7-12(13-10-8-9-11-15-13)16-17(5,6)14(2,3)4/h9,11-13H,7-8,10H2,1-6H3.
What are the key properties of tert-butyl-[1-(3,4-dihydro-2H-pyran-2-yl)propoxy]-dimethylsilane?
tert-butyl-[1-(3,4-dihydro-2H-pyran-2-yl)propoxy]-dimethylsilane has a molecular weight of 256.46 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(3,4-dihydro-2H-pyran-2-yl)propoxy]-dimethylsilane is sourced from PubChem (CID 58063651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).