trimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane

C12H23BO2Si — CID 14742407

IUPACtrimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane
SMILESCC1(C)OB(CC#C[Si](C)(C)C)OC1(C)C
InChIInChI=1S/C12H23BO2Si/c1-11(2)12(3,4)15-13(14-11)9-8-10-16(5,6)7/h9H2,1-7H3
InChIKeyBRINLPZAWWXACQ-UHFFFAOYSA-N
MW238.21 g/mol
LogP2.96
Rot. Bonds1

About trimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane

trimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane (PubChem CID 14742407) has the molecular formula C12H23BO2Si and a molecular weight of 238.21 g/mol. Its IUPAC name is trimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane
PubChem CID14742407
Molecular FormulaC12H23BO2Si
Molecular Weight238.21 g/mol
Exact Mass238.16
IUPAC Nametrimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane
SMILESCC1(C)OB(CC#C[Si](C)(C)C)OC1(C)C
InChIInChI=1S/C12H23BO2Si/c1-11(2)12(3,4)15-13(14-11)9-8-10-16(5,6)7/h9H2,1-7H3
InChIKeyBRINLPZAWWXACQ-UHFFFAOYSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane?
The IUPAC name of trimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane (CID 14742407) is trimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane.
What is the SMILES notation for trimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane?
The canonical SMILES for trimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane is CC1(C)OB(CC#C[Si](C)(C)C)OC1(C)C.
What is the InChIKey of trimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane?
The InChIKey is BRINLPZAWWXACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BO2Si/c1-11(2)12(3,4)15-13(14-11)9-8-10-16(5,6)7/h9H2,1-7H3.
What are the key properties of trimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane?
trimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane has a molecular weight of 238.21 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-ynyl]silane is sourced from PubChem (CID 14742407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).