tert-butyl-dimethyl-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyran-2-yl]methoxy]silane

C18H35BO4Si — CID 140804777

IUPACtert-butyl-dimethyl-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyran-2-yl]methoxy]silane
SMILESCC1(C)OB(C2=CCCC(CO[Si](C)(C)C(C)(C)C)O2)OC1(C)C
InChIInChI=1S/C18H35BO4Si/c1-16(2,3)24(8,9)20-13-14-11-10-12-15(21-14)19-22-17(4,5)18(6,7)23-19/h12,14H,10-11,13H2,1-9H3
InChIKeyUBPVYKOTSMDSPG-UHFFFAOYSA-N
MW354.37 g/mol
LogP4.70
Rot. Bonds4

About tert-butyl-dimethyl-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyran-2-yl]methoxy]silane

tert-butyl-dimethyl-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyran-2-yl]methoxy]silane (PubChem CID 140804777) has the molecular formula C18H35BO4Si and a molecular weight of 354.37 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyran-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyran-2-yl]methoxy]silane
PubChem CID140804777
Molecular FormulaC18H35BO4Si
Molecular Weight354.37 g/mol
Exact Mass354.24
IUPAC Nametert-butyl-dimethyl-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyran-2-yl]methoxy]silane
SMILESCC1(C)OB(C2=CCCC(CO[Si](C)(C)C(C)(C)C)O2)OC1(C)C
InChIInChI=1S/C18H35BO4Si/c1-16(2,3)24(8,9)20-13-14-11-10-12-15(21-14)19-22-17(4,5)18(6,7)23-19/h12,14H,10-11,13H2,1-9H3
InChIKeyUBPVYKOTSMDSPG-UHFFFAOYSA-N
XLogP4.70
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 tert-butyl-dimethyl-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyran-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyran-2-yl]methoxy]silane (CID 140804777) is tert-butyl-dimethyl-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyran-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyran-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyran-2-yl]methoxy]silane is CC1(C)OB(C2=CCCC(CO[Si](C)(C)C(C)(C)C)O2)OC1(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyran-2-yl]methoxy]silane?
The InChIKey is UBPVYKOTSMDSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35BO4Si/c1-16(2,3)24(8,9)20-13-14-11-10-12-15(21-14)19-22-17(4,5)18(6,7)23-19/h12,14H,10-11,13H2,1-9H3.
What are the key properties of tert-butyl-dimethyl-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyran-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyran-2-yl]methoxy]silane has a molecular weight of 354.37 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyran-2-yl]methoxy]silane is sourced from PubChem (CID 140804777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).