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

C18H27BO2Si — CID 134067663

IUPACtrimethyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-ynyl]silane
SMILESCC1(C)OB(c2ccc(C#CC[Si](C)(C)C)cc2)OC1(C)C
InChIInChI=1S/C18H27BO2Si/c1-17(2)18(3,4)21-19(20-17)16-12-10-15(11-13-16)9-8-14-22(5,6)7/h10-13H,14H2,1-7H3
InChIKeyULMOISCYXYQAKL-UHFFFAOYSA-N
MW314.31 g/mol
LogP3.68
Rot. Bonds2

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

trimethyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-ynyl]silane (PubChem CID 134067663) has the molecular formula C18H27BO2Si and a molecular weight of 314.31 g/mol. Its IUPAC name is trimethyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-ynyl]silane
PubChem CID134067663
Molecular FormulaC18H27BO2Si
Molecular Weight314.31 g/mol
Exact Mass314.19
IUPAC Nametrimethyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-ynyl]silane
SMILESCC1(C)OB(c2ccc(C#CC[Si](C)(C)C)cc2)OC1(C)C
InChIInChI=1S/C18H27BO2Si/c1-17(2)18(3,4)21-19(20-17)16-12-10-15(11-13-16)9-8-14-22(5,6)7/h10-13H,14H2,1-7H3
InChIKeyULMOISCYXYQAKL-UHFFFAOYSA-N
XLogP3.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 53.68
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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Related Compounds

4,4,5,5-tetramethyl-2-[4-(2-phenylethynyl)phenyl]-1,3,2-dioxaborolane
CID 57416880
ethenyl-methyl-bis[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane
CID 122212489
4,4,5,5-tetramethyl-2-[4-(3-phenylprop-2-ynoxy)phenyl]-1,3,2-dioxaborolane
CID 123303449
dimethyl-phenyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane
CID 102236944
4,4,5,5-tetramethyl-2-[4-[(3R)-3-phenylpent-1-ynyl]phenyl]-1,3,2-dioxaborolane
CID 138911295
2-[4-(2-chloroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 176899707
ethane;4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane
CID 142330584
2-[4-(chloromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 46739086
2-[4-[bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 175003958
methanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CID 158702164
2-(4-chlorobut-1-ynyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 170468707
1,2-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1,2-dione
CID 68776148

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-ynyl]silane?
The IUPAC name of trimethyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-ynyl]silane (CID 134067663) is trimethyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-ynyl]silane.
What is the SMILES notation for trimethyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-ynyl]silane?
The canonical SMILES for trimethyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-ynyl]silane is CC1(C)OB(c2ccc(C#CC[Si](C)(C)C)cc2)OC1(C)C.
What is the InChIKey of trimethyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-ynyl]silane?
The InChIKey is ULMOISCYXYQAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BO2Si/c1-17(2)18(3,4)21-19(20-17)16-12-10-15(11-13-16)9-8-14-22(5,6)7/h10-13H,14H2,1-7H3.
What are the key properties of trimethyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-ynyl]silane?
trimethyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-ynyl]silane has a molecular weight of 314.31 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-ynyl]silane is sourced from PubChem (CID 134067663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).