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

C23H48B2O5Si — CID 154713110

IUPAC5,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy-tert-butyl-dimethylsilane
SMILESCC1(C)OB(C(CCCCO[Si](C)(C)C(C)(C)C)B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C23H48B2O5Si/c1-19(2,3)31(12,13)26-17-15-14-16-18(24-27-20(4,5)21(6,7)28-24)25-29-22(8,9)23(10,11)30-25/h18H,14-17H2,1-13H3
InChIKeyDMGREJUNNHTZOD-UHFFFAOYSA-N
MW454.34 g/mol
LogP6.27
Rot. Bonds8

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

5,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy-tert-butyl-dimethylsilane (PubChem CID 154713110) has the molecular formula C23H48B2O5Si and a molecular weight of 454.34 g/mol. Its IUPAC name is 5,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name5,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy-tert-butyl-dimethylsilane
PubChem CID154713110
Molecular FormulaC23H48B2O5Si
Molecular Weight454.34 g/mol
Exact Mass454.35
IUPAC Name5,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy-tert-butyl-dimethylsilane
SMILESCC1(C)OB(C(CCCCO[Si](C)(C)C(C)(C)C)B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C23H48B2O5Si/c1-19(2,3)31(12,13)26-17-15-14-16-18(24-27-20(4,5)21(6,7)28-24)25-29-22(8,9)23(10,11)30-25/h18H,14-17H2,1-13H3
InChIKeyDMGREJUNNHTZOD-UHFFFAOYSA-N
XLogP6.27
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.34
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3,3-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy)(tert-butyl)dimethylsilane
CID 154719528
Tri(propan-2-yl)-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexoxy]silane
CID 57373170
Tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane
CID 73067164
2,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl-trimethylsilane
CID 101792408
tert-butyl-dimethyl-[(2S)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane
CID 134956994
tert-butyl-dimethyl-[(2S)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane
CID 135008079
tert-butyl-dimethyl-[(2R)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane
CID 135008422
tert-butyl-dimethyl-[(3R)-3-methyl-4,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane
CID 138984257
[Dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silyl]oxy-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane
CID 154712243
tert-butyl-[(3R,5R)-7-[tert-butyl(dimethyl)silyl]oxy-3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptoxy]-dimethylsilane
CID 154712399
Tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane
CID 154712526
tert-butyl-dimethyl-[(4R)-4,5,5-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]silane
CID 176421600

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy-tert-butyl-dimethylsilane?
The IUPAC name of 5,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy-tert-butyl-dimethylsilane (CID 154713110) is 5,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 5,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 5,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy-tert-butyl-dimethylsilane is CC1(C)OB(C(CCCCO[Si](C)(C)C(C)(C)C)B2OC(C)(C)C(C)(C)O2)OC1(C)C.
What is the InChIKey of 5,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy-tert-butyl-dimethylsilane?
The InChIKey is DMGREJUNNHTZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48B2O5Si/c1-19(2,3)31(12,13)26-17-15-14-16-18(24-27-20(4,5)21(6,7)28-24)25-29-22(8,9)23(10,11)30-25/h18H,14-17H2,1-13H3.
What are the key properties of 5,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy-tert-butyl-dimethylsilane?
5,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy-tert-butyl-dimethylsilane has a molecular weight of 454.34 g/mol, XLogP of 6.27, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 154713110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).