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

C16H35BO3Si — CID 69088283

IUPACtert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane
SMILESCC1(C)OB(CCCCO[Si](C)(C)C(C)(C)C)OC1(C)C
InChIInChI=1S/C16H35BO3Si/c1-14(2,3)21(8,9)18-13-11-10-12-17-19-15(4,5)16(6,7)20-17/h10-13H2,1-9H3
InChIKeyHHVRWQAVNOTJBD-UHFFFAOYSA-N
MW314.35 g/mol
LogP4.88
Rot. Bonds6

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

tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane (PubChem CID 69088283) has the molecular formula C16H35BO3Si and a molecular weight of 314.35 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane
PubChem CID69088283
Molecular FormulaC16H35BO3Si
Molecular Weight314.35 g/mol
Exact Mass314.24
IUPAC Nametert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane
SMILESCC1(C)OB(CCCCO[Si](C)(C)C(C)(C)C)OC1(C)C
InChIInChI=1S/C16H35BO3Si/c1-14(2,3)21(8,9)18-13-11-10-12-17-19-15(4,5)16(6,7)20-17/h10-13H2,1-9H3
InChIKeyHHVRWQAVNOTJBD-UHFFFAOYSA-N
XLogP4.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane (CID 69088283) is tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane is CC1(C)OB(CCCCO[Si](C)(C)C(C)(C)C)OC1(C)C.
What is the InChIKey of tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane?
The InChIKey is HHVRWQAVNOTJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35BO3Si/c1-14(2,3)21(8,9)18-13-11-10-12-17-19-15(4,5)16(6,7)20-17/h10-13H2,1-9H3.
What are the key properties of tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane?
tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane has a molecular weight of 314.35 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane is sourced from PubChem (CID 69088283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).