[3-(hexoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane

C22H39BO3Si — CID 101061508

IUPAC[3-(hexoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane
SMILESCCCCCCOCc1cc(B2OC(C)(C)C(C)(C)O2)cc([Si](C)(C)C)c1
InChIInChI=1S/C22H39BO3Si/c1-9-10-11-12-13-24-17-18-14-19(16-20(15-18)27(6,7)8)23-25-21(2,3)22(4,5)26-23/h14-16H,9-13,17H2,1-8H3
InChIKeyGIVZIJGGZHLBCC-UHFFFAOYSA-N
MW390.45 g/mol
LogP4.63
Rot. Bonds9

About [3-(hexoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane

[3-(hexoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane (PubChem CID 101061508) has the molecular formula C22H39BO3Si and a molecular weight of 390.45 g/mol. Its IUPAC name is [3-(hexoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane.

Molecular Properties

Compound Name[3-(hexoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane
PubChem CID101061508
Molecular FormulaC22H39BO3Si
Molecular Weight390.45 g/mol
Exact Mass390.28
IUPAC Name[3-(hexoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane
SMILESCCCCCCOCc1cc(B2OC(C)(C)C(C)(C)O2)cc([Si](C)(C)C)c1
InChIInChI=1S/C22H39BO3Si/c1-9-10-11-12-13-24-17-18-14-19(16-20(15-18)27(6,7)8)23-25-21(2,3)22(4,5)26-23/h14-16H,9-13,17H2,1-8H3
InChIKeyGIVZIJGGZHLBCC-UHFFFAOYSA-N
XLogP4.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 54.63
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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Related Compounds

(E)-2-(3-(benzyloxy)prop-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 14141556
4-(Oxolan-2-yl)phenylboronic acid pinacol ester
CID 129946704
4-(tert-Butoxymethyl)benzeneboronic acid
CID 3708480
2-(tert-Butoxymethyl)phenylboronic acid
CID 3796728
2-(3-(Methoxymethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 17750258
2-(4-(Methoxymethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 59882226
4,4,5,5-Tetramethyl-2-(4-(oxan-2-yl)phenyl)-1,3,2-dioxaborolane
CID 67960766
2-[3-Fluoro-5-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 67979405
2-(4-(1-Methoxyethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 68594572
2-(4-((2-Methoxyethoxy)methyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 71306552
2-[4-(Ethoxymethyl)-3-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 75356281
2-[3-Fluoro-4-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 75360944

Frequently Asked Questions

What is the IUPAC name of [3-(hexoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane?
The IUPAC name of [3-(hexoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane (CID 101061508) is [3-(hexoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane.
What is the SMILES notation for [3-(hexoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane?
The canonical SMILES for [3-(hexoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane is CCCCCCOCc1cc(B2OC(C)(C)C(C)(C)O2)cc([Si](C)(C)C)c1.
What is the InChIKey of [3-(hexoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane?
The InChIKey is GIVZIJGGZHLBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39BO3Si/c1-9-10-11-12-13-24-17-18-14-19(16-20(15-18)27(6,7)8)23-25-21(2,3)22(4,5)26-23/h14-16H,9-13,17H2,1-8H3.
What are the key properties of [3-(hexoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane?
[3-(hexoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane has a molecular weight of 390.45 g/mol, XLogP of 4.63, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hexoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane is sourced from PubChem (CID 101061508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).