dimethyl-phenyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane

C22H27BO2Si — CID 102236944

IUPACdimethyl-phenyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane
SMILESCC1(C)OB(c2ccc(C#C[Si](C)(C)c3ccccc3)cc2)OC1(C)C
InChIInChI=1S/C22H27BO2Si/c1-21(2)22(3,4)25-23(24-21)19-14-12-18(13-15-19)16-17-26(5,6)20-10-8-7-9-11-20/h7-15H,1-6H3
InChIKeyGSMIONULPHRHMJ-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.49
Rot. Bonds2

About dimethyl-phenyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane

dimethyl-phenyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane (PubChem CID 102236944) has the molecular formula C22H27BO2Si and a molecular weight of 362.35 g/mol. Its IUPAC name is dimethyl-phenyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane.

Molecular Properties

Compound Namedimethyl-phenyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane
PubChem CID102236944
Molecular FormulaC22H27BO2Si
Molecular Weight362.35 g/mol
Exact Mass362.19
IUPAC Namedimethyl-phenyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane
SMILESCC1(C)OB(c2ccc(C#C[Si](C)(C)c3ccccc3)cc2)OC1(C)C
InChIInChI=1S/C22H27BO2Si/c1-21(2)22(3,4)25-23(24-21)19-14-12-18(13-15-19)16-17-26(5,6)20-10-8-7-9-11-20/h7-15H,1-6H3
InChIKeyGSMIONULPHRHMJ-UHFFFAOYSA-N
XLogP3.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.49
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
methyl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane
CID 171832535
ethenyl-methyl-bis[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane
CID 122212489
trimethyl-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-ynyl]silane
CID 134067663
4,4,5,5-tetramethyl-2-[4-[(3R)-3-phenylpent-1-ynyl]phenyl]-1,3,2-dioxaborolane
CID 138911295
4,4,5,5-tetramethyl-2-[4-(3-phenylprop-2-ynoxy)phenyl]-1,3,2-dioxaborolane
CID 123303449
triphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]germane
CID 169031106
4,4,5,5-tetramethyl-2-[4-(2-phenylethyl)phenyl]-1,3,2-dioxaborolane
CID 102447774
2-phenyl-4-(4-phenylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 139034816
prop-1-ene;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane
CID 160688261
3-(2-phenylethynyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 163817382
phenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
CID 174108740

Frequently Asked Questions

What is the IUPAC name of dimethyl-phenyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane?
The IUPAC name of dimethyl-phenyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane (CID 102236944) is dimethyl-phenyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane.
What is the SMILES notation for dimethyl-phenyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane?
The canonical SMILES for dimethyl-phenyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane is CC1(C)OB(c2ccc(C#C[Si](C)(C)c3ccccc3)cc2)OC1(C)C.
What is the InChIKey of dimethyl-phenyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane?
The InChIKey is GSMIONULPHRHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BO2Si/c1-21(2)22(3,4)25-23(24-21)19-14-12-18(13-15-19)16-17-26(5,6)20-10-8-7-9-11-20/h7-15H,1-6H3.
What are the key properties of dimethyl-phenyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane?
dimethyl-phenyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane has a molecular weight of 362.35 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-phenyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane is sourced from PubChem (CID 102236944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).