3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy-tert-butyl-dimethylsilane

C21H44B2O5Si — CID 154719528

IUPAC3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy-tert-butyl-dimethylsilane
SMILESCC1(C)OB(C(CCO[Si](C)(C)C(C)(C)C)B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C21H44B2O5Si/c1-17(2,3)29(12,13)24-15-14-16(22-25-18(4,5)19(6,7)26-22)23-27-20(8,9)21(10,11)28-23/h16H,14-15H2,1-13H3
InChIKeyGYVKANUNTAOXKH-UHFFFAOYSA-N
MW426.29 g/mol
LogP5.49
Rot. Bonds6

About 3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy-tert-butyl-dimethylsilane

3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy-tert-butyl-dimethylsilane (PubChem CID 154719528) has the molecular formula C21H44B2O5Si and a molecular weight of 426.29 g/mol. Its IUPAC name is 3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy-tert-butyl-dimethylsilane
PubChem CID154719528
Molecular FormulaC21H44B2O5Si
Molecular Weight426.29 g/mol
Exact Mass426.31
IUPAC Name3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy-tert-butyl-dimethylsilane
SMILESCC1(C)OB(C(CCO[Si](C)(C)C(C)(C)C)B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C21H44B2O5Si/c1-17(2,3)29(12,13)24-15-14-16(22-25-18(4,5)19(6,7)26-22)23-27-20(8,9)21(10,11)28-23/h16H,14-15H2,1-13H3
InChIKeyGYVKANUNTAOXKH-UHFFFAOYSA-N
XLogP5.49
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.29
LogP ≤ 55.49
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 3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy-tert-butyl-dimethylsilane?
The IUPAC name of 3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy-tert-butyl-dimethylsilane (CID 154719528) is 3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy-tert-butyl-dimethylsilane is CC1(C)OB(C(CCO[Si](C)(C)C(C)(C)C)B2OC(C)(C)C(C)(C)O2)OC1(C)C.
What is the InChIKey of 3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy-tert-butyl-dimethylsilane?
The InChIKey is GYVKANUNTAOXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44B2O5Si/c1-17(2,3)29(12,13)24-15-14-16(22-25-18(4,5)19(6,7)26-22)23-27-20(8,9)21(10,11)28-23/h16H,14-15H2,1-13H3.
What are the key properties of 3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy-tert-butyl-dimethylsilane?
3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy-tert-butyl-dimethylsilane has a molecular weight of 426.29 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 154719528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).