tert-butyl-[3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]prop-2-ynoxy]-diphenylsilane

C30H42O3Si2 — CID 25229218

IUPACtert-butyl-[3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]prop-2-ynoxy]-diphenylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=CO[C@H](C#CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C30H42O3Si2/c1-29(2,3)34(7,8)33-26-21-23-31-25(24-26)16-15-22-32-35(30(4,5)6,27-17-11-9-12-18-27)28-19-13-10-14-20-28/h9-14,17-21,23,25-26H,22,24H2,1-8H3/t25-,26-/m1/s1
InChIKeyTYWYUANUBWUIJW-CLJLJLNGSA-N
MW506.84 g/mol
LogP6.26
Rot. Bonds6

About tert-butyl-[3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]prop-2-ynoxy]-diphenylsilane

tert-butyl-[3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]prop-2-ynoxy]-diphenylsilane (PubChem CID 25229218) has the molecular formula C30H42O3Si2 and a molecular weight of 506.84 g/mol. Its IUPAC name is tert-butyl-[3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]prop-2-ynoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]prop-2-ynoxy]-diphenylsilane
PubChem CID25229218
Molecular FormulaC30H42O3Si2
Molecular Weight506.84 g/mol
Exact Mass506.27
IUPAC Nametert-butyl-[3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]prop-2-ynoxy]-diphenylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=CO[C@H](C#CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C30H42O3Si2/c1-29(2,3)34(7,8)33-26-21-23-31-25(24-26)16-15-22-32-35(30(4,5)6,27-17-11-9-12-18-27)28-19-13-10-14-20-28/h9-14,17-21,23,25-26H,22,24H2,1-8H3/t25-,26-/m1/s1
InChIKeyTYWYUANUBWUIJW-CLJLJLNGSA-N
XLogP6.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.84
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy]-diphenylsilane
CID 102304224
tert-butyl-[3-(oxocan-2-yl)prop-2-ynoxy]-diphenylsilane;carbon monoxide;cobalt
CID 134882634
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
(2S,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol
CID 99774565
tert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane
CID 166437595
(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]propan-1-ol
CID 122220290
4-[tert-butyl(diphenyl)silyl]oxybut-2-ynyl methanesulfonate
CID 141229051
tert-butyl-[4-(3-methyloxiran-2-yl)but-3-ynoxy]-diphenylsilane
CID 73192940
magnesium;tert-butyl-diphenyl-prop-2-ynoxysilane;bromide
CID 10916308
(1R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-ol
CID 11739262
tert-butyl-[5-[methyl(diphenyl)silyl]oxypent-3-ynoxy]-diphenylsilane
CID 11082053
(3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
CID 10907211

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]prop-2-ynoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]prop-2-ynoxy]-diphenylsilane (CID 25229218) is tert-butyl-[3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]prop-2-ynoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]prop-2-ynoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]prop-2-ynoxy]-diphenylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1C=CO[C@H](C#CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]prop-2-ynoxy]-diphenylsilane?
The InChIKey is TYWYUANUBWUIJW-CLJLJLNGSA-N. The full InChI is InChI=1S/C30H42O3Si2/c1-29(2,3)34(7,8)33-26-21-23-31-25(24-26)16-15-22-32-35(30(4,5)6,27-17-11-9-12-18-27)28-19-13-10-14-20-28/h9-14,17-21,23,25-26H,22,24H2,1-8H3/t25-,26-/m1/s1.
What are the key properties of tert-butyl-[3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]prop-2-ynoxy]-diphenylsilane?
tert-butyl-[3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]prop-2-ynoxy]-diphenylsilane has a molecular weight of 506.84 g/mol, XLogP of 6.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]prop-2-ynoxy]-diphenylsilane is sourced from PubChem (CID 25229218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).