trimethyl-[[(2S,3S,4S)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilyloxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane

C18H37BO5Si2 — CID 140804781

IUPACtrimethyl-[[(2S,3S,4S)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilyloxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane
SMILESC[C@@H]1OC(B2OC(C)(C)C(C)(C)O2)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C18H37BO5Si2/c1-13-16(22-26(9,10)11)14(21-25(6,7)8)12-15(20-13)19-23-17(2,3)18(4,5)24-19/h12-14,16H,1-11H3/t13-,14-,16-/m0/s1
InChIKeyUHMGGUGMABPLCO-DZKIICNBSA-N
MW400.47 g/mol
LogP4.36
Rot. Bonds5

About trimethyl-[[(2S,3S,4S)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilyloxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane

trimethyl-[[(2S,3S,4S)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilyloxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane (PubChem CID 140804781) has the molecular formula C18H37BO5Si2 and a molecular weight of 400.47 g/mol. Its IUPAC name is trimethyl-[[(2S,3S,4S)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilyloxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[(2S,3S,4S)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilyloxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane
PubChem CID140804781
Molecular FormulaC18H37BO5Si2
Molecular Weight400.47 g/mol
Exact Mass400.23
IUPAC Nametrimethyl-[[(2S,3S,4S)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilyloxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane
SMILESC[C@@H]1OC(B2OC(C)(C)C(C)(C)O2)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C18H37BO5Si2/c1-13-16(22-26(9,10)11)14(21-25(6,7)8)12-15(20-13)19-23-17(2,3)18(4,5)24-19/h12-14,16H,1-11H3/t13-,14-,16-/m0/s1
InChIKeyUHMGGUGMABPLCO-DZKIICNBSA-N
XLogP4.36
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(2S,3S,4S)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilyloxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane?
The IUPAC name of trimethyl-[[(2S,3S,4S)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilyloxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane (CID 140804781) is trimethyl-[[(2S,3S,4S)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilyloxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane.
What is the SMILES notation for trimethyl-[[(2S,3S,4S)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilyloxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane?
The canonical SMILES for trimethyl-[[(2S,3S,4S)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilyloxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane is C[C@@H]1OC(B2OC(C)(C)C(C)(C)O2)=C[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C.
What is the InChIKey of trimethyl-[[(2S,3S,4S)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilyloxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane?
The InChIKey is UHMGGUGMABPLCO-DZKIICNBSA-N. The full InChI is InChI=1S/C18H37BO5Si2/c1-13-16(22-26(9,10)11)14(21-25(6,7)8)12-15(20-13)19-23-17(2,3)18(4,5)24-19/h12-14,16H,1-11H3/t13-,14-,16-/m0/s1.
What are the key properties of trimethyl-[[(2S,3S,4S)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilyloxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane?
trimethyl-[[(2S,3S,4S)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilyloxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane has a molecular weight of 400.47 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(2S,3S,4S)-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilyloxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane is sourced from PubChem (CID 140804781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).