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

C18H31BO2Si — CID 177455263

IUPACtrimethyl-[1-(4-methylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]silane
SMILESCc1ccc(C(CB2OC(C)(C)C(C)(C)O2)[Si](C)(C)C)cc1
InChIInChI=1S/C18H31BO2Si/c1-14-9-11-15(12-10-14)16(22(6,7)8)13-19-20-17(2,3)18(4,5)21-19/h9-12,16H,13H2,1-8H3
InChIKeyUHNRUVVASPVKRW-UHFFFAOYSA-N
MW318.34 g/mol
LogP5.05
Rot. Bonds4

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

trimethyl-[1-(4-methylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]silane (PubChem CID 177455263) has the molecular formula C18H31BO2Si and a molecular weight of 318.34 g/mol. Its IUPAC name is trimethyl-[1-(4-methylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[1-(4-methylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]silane
PubChem CID177455263
Molecular FormulaC18H31BO2Si
Molecular Weight318.34 g/mol
Exact Mass318.22
IUPAC Nametrimethyl-[1-(4-methylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]silane
SMILESCc1ccc(C(CB2OC(C)(C)C(C)(C)O2)[Si](C)(C)C)cc1
InChIInChI=1S/C18H31BO2Si/c1-14-9-11-15(12-10-14)16(22(6,7)8)13-19-20-17(2,3)18(4,5)21-19/h9-12,16H,13H2,1-8H3
InChIKeyUHNRUVVASPVKRW-UHFFFAOYSA-N
XLogP5.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.34
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-(4-methylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate
CID 132506308
4,4,5,5-tetramethyl-2-[(2S)-2-(3-methylphenyl)propyl]-1,3,2-dioxaborolane
CID 57416215
propane;4,4,5,5-tetramethyl-2-[(4-methylphenyl)methyl]-1,3,2-dioxaborolane
CID 143993405
trimethyl-[(1S)-1-(4-methylphenyl)-2-[(2S)-2-(4-methylphenyl)-2-trimethylsilylethyl]sulfinylethyl]silane
CID 67702859
(R)-(4-methylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine
CID 131181032
N-[1-(4-bromophenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 154718567
4,4,5,5-tetramethyl-2-[(E)-4-(4-methylphenyl)-2-phenylpent-3-enyl]-1,3,2-dioxaborolane
CID 154712426
4-methyl-N-[1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]benzenesulfonamide
CID 102133707
1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine
CID 132919216
methyl 4-[1-[(4-methylphenyl)sulfonylamino]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]benzoate
CID 132522434
1-(bromomethyl)-4-methylbenzene;4,4,5,5-tetramethyl-2-[(4-methylphenyl)methyl]-1,3,2-dioxaborolane
CID 158315130
4,4,5,5-tetramethyl-2-[(2R)-2-phenylbutyl]-1,3,2-dioxaborolane
CID 54597883

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-(4-methylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]silane?
The IUPAC name of trimethyl-[1-(4-methylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]silane (CID 177455263) is trimethyl-[1-(4-methylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]silane.
What is the SMILES notation for trimethyl-[1-(4-methylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]silane?
The canonical SMILES for trimethyl-[1-(4-methylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]silane is Cc1ccc(C(CB2OC(C)(C)C(C)(C)O2)[Si](C)(C)C)cc1.
What is the InChIKey of trimethyl-[1-(4-methylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]silane?
The InChIKey is UHNRUVVASPVKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31BO2Si/c1-14-9-11-15(12-10-14)16(22(6,7)8)13-19-20-17(2,3)18(4,5)21-19/h9-12,16H,13H2,1-8H3.
What are the key properties of trimethyl-[1-(4-methylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]silane?
trimethyl-[1-(4-methylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]silane has a molecular weight of 318.34 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-(4-methylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]silane is sourced from PubChem (CID 177455263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).