tert-butyl-dimethyl-[2-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane

C16H35BO3Si — CID 151148555

IUPACtert-butyl-dimethyl-[2-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane
SMILESCC(C)(CO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H35BO3Si/c1-13(2,3)21(10,11)18-12-14(4,5)17-19-15(6,7)16(8,9)20-17/h12H2,1-11H3
InChIKeyMXSPSTXLDHTBLX-UHFFFAOYSA-N
MW314.35 g/mol
LogP4.88
Rot. Bonds4

About tert-butyl-dimethyl-[2-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane

tert-butyl-dimethyl-[2-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane (PubChem CID 151148555) has the molecular formula C16H35BO3Si and a molecular weight of 314.35 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane
PubChem CID151148555
Molecular FormulaC16H35BO3Si
Molecular Weight314.35 g/mol
Exact Mass314.24
IUPAC Nametert-butyl-dimethyl-[2-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane
SMILESCC(C)(CO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H35BO3Si/c1-13(2,3)21(10,11)18-12-14(4,5)17-19-15(6,7)16(8,9)20-17/h12H2,1-11H3
InChIKeyMXSPSTXLDHTBLX-UHFFFAOYSA-N
XLogP4.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

rac-tert-butyldimethyl{[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methoxy}silane
CID 155858826
2-Trimethylsilyl-1-ethylboronic acid pinacol ester
CID 11436111
tert-Butyldimethyl((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-yn-2-yl)oxy)silane
CID 12174058
(3,3-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy)(tert-butyl)dimethylsilane
CID 154719528
Tert-butyl-dimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-ynoxy]silane
CID 14927838
Tri(propan-2-yl)-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethynyl]silane
CID 25058448
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
Trimethyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl)silane
CID 92045107
Ethoxy-dimethyl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)silane
CID 102404148
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-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methoxy]silane
CID 134978714

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane (CID 151148555) is tert-butyl-dimethyl-[2-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane is CC(C)(CO[Si](C)(C)C(C)(C)C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of tert-butyl-dimethyl-[2-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane?
The InChIKey is MXSPSTXLDHTBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35BO3Si/c1-13(2,3)21(10,11)18-12-14(4,5)17-19-15(6,7)16(8,9)20-17/h12H2,1-11H3.
What are the key properties of tert-butyl-dimethyl-[2-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane?
tert-butyl-dimethyl-[2-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane has a molecular weight of 314.35 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane is sourced from PubChem (CID 151148555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).