tert-butyl-[(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-2-methyloxan-4-yl]oxy-dimethylsilane

C20H40O3Si2 — CID 139247738

IUPACtert-butyl-[(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-2-methyloxan-4-yl]oxy-dimethylsilane
SMILESC#C[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O1
InChIInChI=1S/C20H40O3Si2/c1-13-16-14-17(22-24(9,10)19(3,4)5)18(15(2)21-16)23-25(11,12)20(6,7)8/h1,15-18H,14H2,2-12H3/t15-,16+,17-,18-/m1/s1
InChIKeyPOFISIXPZIFGNP-XMTFNYHQSA-N
MW384.71 g/mol
LogP5.58
Rot. Bonds4

About tert-butyl-[(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-2-methyloxan-4-yl]oxy-dimethylsilane

tert-butyl-[(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-2-methyloxan-4-yl]oxy-dimethylsilane (PubChem CID 139247738) has the molecular formula C20H40O3Si2 and a molecular weight of 384.71 g/mol. Its IUPAC name is tert-butyl-[(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-2-methyloxan-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-2-methyloxan-4-yl]oxy-dimethylsilane
PubChem CID139247738
Molecular FormulaC20H40O3Si2
Molecular Weight384.71 g/mol
Exact Mass384.25
IUPAC Nametert-butyl-[(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-2-methyloxan-4-yl]oxy-dimethylsilane
SMILESC#C[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O1
InChIInChI=1S/C20H40O3Si2/c1-13-16-14-17(22-24(9,10)19(3,4)5)18(15(2)21-16)23-25(11,12)20(6,7)8/h1,15-18H,14H2,2-12H3/t15-,16+,17-,18-/m1/s1
InChIKeyPOFISIXPZIFGNP-XMTFNYHQSA-N
XLogP5.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.71
LogP ≤ 55.58
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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Launch Full Analysis

Related Compounds

tert-butyl-[(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl]oxy-dimethylsilane
CID 44420168
[3,4-Bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 53747119
[(2S,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-yl]oxy-triethylsilane
CID 11420371
Tris(ethyldimethylsilyl)-1,2-deoxyglucose
CID 91758707
Tris(ethyldimethylsilyl)-1,2-deoxygalactose
CID 91758715
(2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-3-yn-2-ol
CID 135028759
(2R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-3-yn-2-ol
CID 135028760
[(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-ynoxy]-tert-butyl-dimethylsilane
CID 138984540
tert-butyl-[(2R,3S)-2-ethynyloxan-3-yl]oxy-dimethylsilane
CID 10514596
tert-butyl-[(2S,3R,4S,5S)-2-ethynyl-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane
CID 57251271
tert-butyl-[(2S,3R,4S,5S)-4-methoxy-5-methyl-2-non-1-ynyloxan-3-yl]oxy-dimethylsilane
CID 57324142
tert-butyl-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethoxy]-dimethylsilane
CID 60088521

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-2-methyloxan-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-2-methyloxan-4-yl]oxy-dimethylsilane (CID 139247738) is tert-butyl-[(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-2-methyloxan-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-2-methyloxan-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-2-methyloxan-4-yl]oxy-dimethylsilane is C#C[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O1.
What is the InChIKey of tert-butyl-[(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-2-methyloxan-4-yl]oxy-dimethylsilane?
The InChIKey is POFISIXPZIFGNP-XMTFNYHQSA-N. The full InChI is InChI=1S/C20H40O3Si2/c1-13-16-14-17(22-24(9,10)19(3,4)5)18(15(2)21-16)23-25(11,12)20(6,7)8/h1,15-18H,14H2,2-12H3/t15-,16+,17-,18-/m1/s1.
What are the key properties of tert-butyl-[(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-2-methyloxan-4-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-2-methyloxan-4-yl]oxy-dimethylsilane has a molecular weight of 384.71 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethynyl-2-methyloxan-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 139247738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).