tert-butyl-[[(2S,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane

C14H26O2Si — CID 101083171

IUPACtert-butyl-[[(2S,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane
SMILESC=C[C@@]1(O[Si](C)(C)C(C)(C)C)C=CCO[C@H]1C
InChIInChI=1S/C14H26O2Si/c1-8-14(10-9-11-15-12(14)2)16-17(6,7)13(3,4)5/h8-10,12H,1,11H2,2-7H3/t12-,14+/m0/s1
InChIKeySGDVLUCNFBSRFQ-GXTWGEPZSA-N
MW254.45 g/mol
LogP3.91
Rot. Bonds3

About tert-butyl-[[(2S,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane

tert-butyl-[[(2S,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane (PubChem CID 101083171) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is tert-butyl-[[(2S,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane
PubChem CID101083171
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Nametert-butyl-[[(2S,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane
SMILESC=C[C@@]1(O[Si](C)(C)C(C)(C)C)C=CCO[C@H]1C
InChIInChI=1S/C14H26O2Si/c1-8-14(10-9-11-15-12(14)2)16-17(6,7)13(3,4)5/h8-10,12H,1,11H2,2-7H3/t12-,14+/m0/s1
InChIKeySGDVLUCNFBSRFQ-GXTWGEPZSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2S,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane (CID 101083171) is tert-butyl-[[(2S,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2S,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2S,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane is C=C[C@@]1(O[Si](C)(C)C(C)(C)C)C=CCO[C@H]1C.
What is the InChIKey of tert-butyl-[[(2S,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane?
The InChIKey is SGDVLUCNFBSRFQ-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-8-14(10-9-11-15-12(14)2)16-17(6,7)13(3,4)5/h8-10,12H,1,11H2,2-7H3/t12-,14+/m0/s1.
What are the key properties of tert-butyl-[[(2S,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane?
tert-butyl-[[(2S,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane has a molecular weight of 254.45 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane is sourced from PubChem (CID 101083171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).