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

C19H28O2Si — CID 101083178

IUPACtert-butyl-[[(2S,3R)-3-ethenyl-2-phenyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane
SMILESC=C[C@@]1(O[Si](C)(C)C(C)(C)C)C=CCO[C@H]1c1ccccc1
InChIInChI=1S/C19H28O2Si/c1-7-19(21-22(5,6)18(2,3)4)14-11-15-20-17(19)16-12-9-8-10-13-16/h7-14,17H,1,15H2,2-6H3/t17-,19+/m0/s1
InChIKeyGGIRXEKDTMIHGP-PKOBYXMFSA-N
MW316.52 g/mol
LogP5.26
Rot. Bonds4

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

tert-butyl-[[(2S,3R)-3-ethenyl-2-phenyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane (PubChem CID 101083178) has the molecular formula C19H28O2Si and a molecular weight of 316.52 g/mol. Its IUPAC name is tert-butyl-[[(2S,3R)-3-ethenyl-2-phenyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,3R)-3-ethenyl-2-phenyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane
PubChem CID101083178
Molecular FormulaC19H28O2Si
Molecular Weight316.52 g/mol
Exact Mass316.19
IUPAC Nametert-butyl-[[(2S,3R)-3-ethenyl-2-phenyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane
SMILESC=C[C@@]1(O[Si](C)(C)C(C)(C)C)C=CCO[C@H]1c1ccccc1
InChIInChI=1S/C19H28O2Si/c1-7-19(21-22(5,6)18(2,3)4)14-11-15-20-17(19)16-12-9-8-10-13-16/h7-14,17H,1,15H2,2-6H3/t17-,19+/m0/s1
InChIKeyGGIRXEKDTMIHGP-PKOBYXMFSA-N
XLogP5.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.52
LogP ≤ 55.26
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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Related Compounds

Bis(1-phenylethyl) ether
CID 62342
2H-Pyran, 3,6-dihydro-4-methyl-2-phenyl-
CID 108443
2H-Pyran, tetrahydro-2-methyl-4-methylene-6-phenyl-
CID 121777
2H-Pyran, tetrahydro-4-methyl-2-phenyl-, (2R,4S)-rel-
CID 15640305
2H-Pyran, 3,6-dihydro-2,4-dimethyl-6-phenyl-
CID 107069
2H-Pyran, 3,6-dihydro-4,6-dimethyl-2-phenyl-
CID 107070
tetrahydro-4-methyl-2-phenyl-2H-pyran
CID 3024003
2H-Pyran, tetrahydro-4-methyl-2-phenyl-, (2R,4R)-rel-
CID 15640306
2,3-Diphenyl-1,4-dioxane
CID 271103
5,6-dihydro-4-methyl-2-phenyl-2H-pyran
CID 108442
Diphenylmethyl propyl ether
CID 4651659
Tert-butyl diphenylmethyl ether
CID 255804

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,3R)-3-ethenyl-2-phenyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2S,3R)-3-ethenyl-2-phenyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane (CID 101083178) is tert-butyl-[[(2S,3R)-3-ethenyl-2-phenyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2S,3R)-3-ethenyl-2-phenyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2S,3R)-3-ethenyl-2-phenyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane is C=C[C@@]1(O[Si](C)(C)C(C)(C)C)C=CCO[C@H]1c1ccccc1.
What is the InChIKey of tert-butyl-[[(2S,3R)-3-ethenyl-2-phenyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane?
The InChIKey is GGIRXEKDTMIHGP-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H28O2Si/c1-7-19(21-22(5,6)18(2,3)4)14-11-15-20-17(19)16-12-9-8-10-13-16/h7-14,17H,1,15H2,2-6H3/t17-,19+/m0/s1.
What are the key properties of tert-butyl-[[(2S,3R)-3-ethenyl-2-phenyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane?
tert-butyl-[[(2S,3R)-3-ethenyl-2-phenyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane has a molecular weight of 316.52 g/mol, XLogP of 5.26, 4 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-phenyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane is sourced from PubChem (CID 101083178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).