tert-butyl-[(2R,4R,6S)-2-ethenyl-6-[(E)-hex-1-enyl]oxan-4-yl]oxy-dimethylsilane

C19H36O2Si — CID 101179862

IUPACtert-butyl-[(2R,4R,6S)-2-ethenyl-6-[(E)-hex-1-enyl]oxan-4-yl]oxy-dimethylsilane
SMILESC=C[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](/C=C/CCCC)O1
InChIInChI=1S/C19H36O2Si/c1-8-10-11-12-13-17-15-18(14-16(9-2)20-17)21-22(6,7)19(3,4)5/h9,12-13,16-18H,2,8,10-11,14-15H2,1,3-7H3/b13-12+/t16-,17+,18+/m0/s1
InChIKeySUCWBNPBLRVNLH-PHCFSIKCSA-N
MW324.58 g/mol
LogP5.86
Rot. Bonds7

About tert-butyl-[(2R,4R,6S)-2-ethenyl-6-[(E)-hex-1-enyl]oxan-4-yl]oxy-dimethylsilane

tert-butyl-[(2R,4R,6S)-2-ethenyl-6-[(E)-hex-1-enyl]oxan-4-yl]oxy-dimethylsilane (PubChem CID 101179862) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is tert-butyl-[(2R,4R,6S)-2-ethenyl-6-[(E)-hex-1-enyl]oxan-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,4R,6S)-2-ethenyl-6-[(E)-hex-1-enyl]oxan-4-yl]oxy-dimethylsilane
PubChem CID101179862
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Nametert-butyl-[(2R,4R,6S)-2-ethenyl-6-[(E)-hex-1-enyl]oxan-4-yl]oxy-dimethylsilane
SMILESC=C[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](/C=C/CCCC)O1
InChIInChI=1S/C19H36O2Si/c1-8-10-11-12-13-17-15-18(14-16(9-2)20-17)21-22(6,7)19(3,4)5/h9,12-13,16-18H,2,8,10-11,14-15H2,1,3-7H3/b13-12+/t16-,17+,18+/m0/s1
InChIKeySUCWBNPBLRVNLH-PHCFSIKCSA-N
XLogP5.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(2R,3S,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl]oxysilane
CID 101185879
tert-Butyl(dimethyl){[(1R,3s,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy}silane
CID 11333927
[(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy-tri(propan-2-yl)silane
CID 11370334
tert-butyl-[(2S)-1-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]pent-4-en-2-yl]oxy-dimethylsilane
CID 11515310
tert-butyl-[(Z)-4-methoxyoct-2-enoxy]-dimethylsilane
CID 11529167
tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methoxy]-dimethylsilane
CID 56593729
[(2S,4S,6R)-2-[(Z)-2-butoxyethenyl]-6-ethenyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 101556891
[(2R,4S,6S)-2-[(Z)-2-butoxyethenyl]-6-ethenyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 102291861
trimethyl-[(E)-3-(oxan-2-yl)prop-2-enyl]silane
CID 102392643
tert-butyl-[(E)-3-cyclohexyl-2-[(2S,3S,6R)-3-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 134900451
tert-butyl-[(Z)-3-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 134941898
trimethyl-[[5-[(E)-oct-5-enyl]-2,5-dihydrofuran-2-yl]methyl]silane
CID 134997144

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,4R,6S)-2-ethenyl-6-[(E)-hex-1-enyl]oxan-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,4R,6S)-2-ethenyl-6-[(E)-hex-1-enyl]oxan-4-yl]oxy-dimethylsilane (CID 101179862) is tert-butyl-[(2R,4R,6S)-2-ethenyl-6-[(E)-hex-1-enyl]oxan-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,4R,6S)-2-ethenyl-6-[(E)-hex-1-enyl]oxan-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,4R,6S)-2-ethenyl-6-[(E)-hex-1-enyl]oxan-4-yl]oxy-dimethylsilane is C=C[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](/C=C/CCCC)O1.
What is the InChIKey of tert-butyl-[(2R,4R,6S)-2-ethenyl-6-[(E)-hex-1-enyl]oxan-4-yl]oxy-dimethylsilane?
The InChIKey is SUCWBNPBLRVNLH-PHCFSIKCSA-N. The full InChI is InChI=1S/C19H36O2Si/c1-8-10-11-12-13-17-15-18(14-16(9-2)20-17)21-22(6,7)19(3,4)5/h9,12-13,16-18H,2,8,10-11,14-15H2,1,3-7H3/b13-12+/t16-,17+,18+/m0/s1.
What are the key properties of tert-butyl-[(2R,4R,6S)-2-ethenyl-6-[(E)-hex-1-enyl]oxan-4-yl]oxy-dimethylsilane?
tert-butyl-[(2R,4R,6S)-2-ethenyl-6-[(E)-hex-1-enyl]oxan-4-yl]oxy-dimethylsilane has a molecular weight of 324.58 g/mol, XLogP of 5.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,4R,6S)-2-ethenyl-6-[(E)-hex-1-enyl]oxan-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 101179862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).