tert-butyl-[[(2R,6R)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]methoxy]-dimethylsilane

C16H30O3Si — CID 101379496

IUPACtert-butyl-[[(2R,6R)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CCC[C@]2(C=CCCO2)O1
InChIInChI=1S/C16H30O3Si/c1-15(2,3)20(4,5)18-13-14-9-8-11-16(19-14)10-6-7-12-17-16/h6,10,14H,7-9,11-13H2,1-5H3/t14-,16+/m1/s1
InChIKeyXGLJUOZWTPUXAV-ZBFHGGJFSA-N
MW298.50 g/mol
LogP4.25
Rot. Bonds3

About tert-butyl-[[(2R,6R)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(2R,6R)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]methoxy]-dimethylsilane (PubChem CID 101379496) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is tert-butyl-[[(2R,6R)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,6R)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]methoxy]-dimethylsilane
PubChem CID101379496
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Nametert-butyl-[[(2R,6R)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CCC[C@]2(C=CCCO2)O1
InChIInChI=1S/C16H30O3Si/c1-15(2,3)20(4,5)18-13-14-9-8-11-16(19-14)10-6-7-12-17-16/h6,10,14H,7-9,11-13H2,1-5H3/t14-,16+/m1/s1
InChIKeyXGLJUOZWTPUXAV-ZBFHGGJFSA-N
XLogP4.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]hex-5-en-3-yloxy-tert-butyl-dimethylsilane
CID 25111398
[(6S,6aR,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-6,6a,10a,10b-tetrahydro-4H-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-yl]oxy-tert-butyl-dimethylsilane
CID 44598795
[(6R,6aR,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-6,6a,10a,10b-tetrahydro-4H-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-yl]oxy-tert-butyl-dimethylsilane
CID 135013965
tert-butyl-[(Z)-6-[(4S,5S)-5-butyl-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-enoxy]-dimethylsilane
CID 10547164
tert-butyl-[(E)-11-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-9-(oxan-2-yloxy)undec-10-enoxy]-dimethylsilane
CID 10552899
tert-butyl-[(E)-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(oxan-2-yloxy)hept-6-enoxy]-dimethylsilane
CID 10836308
tert-butyl-[(E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-enoxy]-dimethylsilane
CID 10836941
tert-butyl-[[(1R,10Z,12S,13R,15S)-13-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7,16-trioxatricyclo[10.3.1.04,8]hexadec-10-en-15-yl]oxy]-dimethylsilane
CID 11005757
tert-butyl-[(2R,3S,5S,6R)-6-[(E,2S)-4-[(2S,3S,6R)-3,6-dimethoxy-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-yl]-5-methoxy-3-methyloxan-2-yl]oxy-dimethylsilane
CID 11070714
tert-butyl-[[(2R,3R,6S)-2-[2-[(2S,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane
CID 11092490
tert-butyl-[[(1S,2S,9S,10S)-10-hexyl-11,12-dioxatricyclo[7.2.1.01,6]dodec-5-en-2-yl]oxy]-dimethylsilane
CID 11100966
tert-butyl-[[(1S,2R,9S,10S)-10-hexyl-11,12-dioxatricyclo[7.2.1.01,6]dodec-5-en-2-yl]oxy]-dimethylsilane
CID 11731683

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,6R)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2R,6R)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]methoxy]-dimethylsilane (CID 101379496) is tert-butyl-[[(2R,6R)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2R,6R)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2R,6R)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1CCC[C@]2(C=CCCO2)O1.
What is the InChIKey of tert-butyl-[[(2R,6R)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]methoxy]-dimethylsilane?
The InChIKey is XGLJUOZWTPUXAV-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-15(2,3)20(4,5)18-13-14-9-8-11-16(19-14)10-6-7-12-17-16/h6,10,14H,7-9,11-13H2,1-5H3/t14-,16+/m1/s1.
What are the key properties of tert-butyl-[[(2R,6R)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2R,6R)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]methoxy]-dimethylsilane has a molecular weight of 298.50 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,6R)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 101379496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).