tert-butyl-[[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane

C15H30O2Si — CID 101462851

IUPACtert-butyl-[[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane
SMILESCCCC[C@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)CO1
InChIInChI=1S/C15H30O2Si/c1-7-8-9-13-10-11-14(12-16-13)17-18(5,6)15(2,3)4/h10-11,13-14H,7-9,12H2,1-6H3/t13-,14-/m0/s1
InChIKeyRKRDTDHXPLWYCD-KBPBESRZSA-N
MW270.49 g/mol
LogP4.52
Rot. Bonds5

About tert-butyl-[[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane

tert-butyl-[[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane (PubChem CID 101462851) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is tert-butyl-[[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane
PubChem CID101462851
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Nametert-butyl-[[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane
SMILESCCCC[C@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)CO1
InChIInChI=1S/C15H30O2Si/c1-7-8-9-13-10-11-14(12-16-13)17-18(5,6)15(2,3)4/h10-11,13-14H,7-9,12H2,1-6H3/t13-,14-/m0/s1
InChIKeyRKRDTDHXPLWYCD-KBPBESRZSA-N
XLogP4.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.52
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

(Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
CID 44397489
tert-butyl-[(2R,3R)-2-ethenyloxan-3-yl]oxy-dimethylsilane
CID 12192985
(E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
CID 10967661
(2R,3S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxan-3-ol
CID 44397615
(Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
CID 44420199
tert-butyl-dimethyl-[(2R,3S,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl]oxysilane
CID 101185879
tert-butyl-[[(2S,3S)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane
CID 10824866
tert-butyl-[(2R,3S)-2-ethenyloxan-3-yl]oxy-dimethylsilane
CID 11096805
tert-butyl-[[(8S)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-dimethylsilane
CID 11425711
tert-butyl-[(Z)-4-methoxyoct-2-enoxy]-dimethylsilane
CID 11529167
tert-butyl-[[(2S,5S)-3,5-dimethyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 21630666
tert-butyl-[[(2S,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane
CID 101083171

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane (CID 101462851) is tert-butyl-[[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane is CCCC[C@H]1C=C[C@H](O[Si](C)(C)C(C)(C)C)CO1.
What is the InChIKey of tert-butyl-[[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane?
The InChIKey is RKRDTDHXPLWYCD-KBPBESRZSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-7-8-9-13-10-11-14(12-16-13)17-18(5,6)15(2,3)4/h10-11,13-14H,7-9,12H2,1-6H3/t13-,14-/m0/s1.
What are the key properties of tert-butyl-[[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane?
tert-butyl-[[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane has a molecular weight of 270.49 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane is sourced from PubChem (CID 101462851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).