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

C14H28O2Si — CID 124635026

IUPACtert-butyl-[(1S)-1-[(2R)-3,4-dihydro-2H-pyran-2-yl]propoxy]-dimethylsilane
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CCC=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/t12-,13+/m0/s1
InChIKeyDGFVBJLYEXYHDX-QWHCGFSZSA-N
MW256.46 g/mol
LogP4.48
Rot. Bonds4

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

tert-butyl-[(1S)-1-[(2R)-3,4-dihydro-2H-pyran-2-yl]propoxy]-dimethylsilane (PubChem CID 124635026) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is tert-butyl-[(1S)-1-[(2R)-3,4-dihydro-2H-pyran-2-yl]propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S)-1-[(2R)-3,4-dihydro-2H-pyran-2-yl]propoxy]-dimethylsilane
PubChem CID124635026
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Nametert-butyl-[(1S)-1-[(2R)-3,4-dihydro-2H-pyran-2-yl]propoxy]-dimethylsilane
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CCC=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/t12-,13+/m0/s1
InChIKeyDGFVBJLYEXYHDX-QWHCGFSZSA-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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Related Compounds

tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]propoxy]silane
CID 87355723
tert-butyl-dimethyl-[1-(oxiran-2-yl)propoxy]silane
CID 87130449
1-(3,4-dihydro-2H-pyran-2-yl)propan-1-ol
CID 130121969
(4S)-4-[(2R,7S)-7-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3,6,7-tetrahydrooxepin-2-yl]-4-hydroxybutanenitrile
CID 138984374
2-(1-bromoethyl)-3,4-dihydro-2H-pyran
CID 174413074
butan-2-yloxy-tert-butyl-dimethylsilane;methane
CID 158755840
tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethoxy]silane
CID 87356118
(1R)-N-tert-butylsulfanyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]ethanamine
CID 142537443
(5S)-5-[(1S)-2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
CID 100999051
tert-butyl-cyclohept-4-en-1-yloxy-dimethylsilane
CID 11085508
N-[1-(3,4-dihydro-2H-pyran-2-yl)-2-hydroxyethyl]-2-methylpropane-2-sulfinamide
CID 166506814
(4R)-4-cyclopropyl-4-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-methylbutane-2-sulfinamide
CID 166506868

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S)-1-[(2R)-3,4-dihydro-2H-pyran-2-yl]propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S)-1-[(2R)-3,4-dihydro-2H-pyran-2-yl]propoxy]-dimethylsilane (CID 124635026) is tert-butyl-[(1S)-1-[(2R)-3,4-dihydro-2H-pyran-2-yl]propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S)-1-[(2R)-3,4-dihydro-2H-pyran-2-yl]propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S)-1-[(2R)-3,4-dihydro-2H-pyran-2-yl]propoxy]-dimethylsilane is CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CCC=CO1.
What is the InChIKey of tert-butyl-[(1S)-1-[(2R)-3,4-dihydro-2H-pyran-2-yl]propoxy]-dimethylsilane?
The InChIKey is DGFVBJLYEXYHDX-QWHCGFSZSA-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/t12-,13+/m0/s1.
What are the key properties of tert-butyl-[(1S)-1-[(2R)-3,4-dihydro-2H-pyran-2-yl]propoxy]-dimethylsilane?
tert-butyl-[(1S)-1-[(2R)-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-[(1S)-1-[(2R)-3,4-dihydro-2H-pyran-2-yl]propoxy]-dimethylsilane is sourced from PubChem (CID 124635026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).