triethyl-[(E,1R,4S)-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enoxy]silane

C24H41BO3Si — CID 154712411

IUPACtriethyl-[(E,1R,4S)-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enoxy]silane
SMILESCC[C@@H](/C=C/[C@@H](O[Si](CC)(CC)CC)c1ccccc1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C24H41BO3Si/c1-9-21(25-27-23(5,6)24(7,8)28-25)18-19-22(20-16-14-13-15-17-20)26-29(10-2,11-3)12-4/h13-19,21-22H,9-12H2,1-8H3/b19-18+/t21-,22+/m0/s1
InChIKeyYRDGHHZBFCHFJE-ICWQGCNBSA-N
MW416.49 g/mol
LogP7.18
Rot. Bonds10

About triethyl-[(E,1R,4S)-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enoxy]silane

triethyl-[(E,1R,4S)-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enoxy]silane (PubChem CID 154712411) has the molecular formula C24H41BO3Si and a molecular weight of 416.49 g/mol. Its IUPAC name is triethyl-[(E,1R,4S)-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enoxy]silane.

Molecular Properties

Compound Nametriethyl-[(E,1R,4S)-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enoxy]silane
PubChem CID154712411
Molecular FormulaC24H41BO3Si
Molecular Weight416.49 g/mol
Exact Mass416.29
IUPAC Nametriethyl-[(E,1R,4S)-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enoxy]silane
SMILESCC[C@@H](/C=C/[C@@H](O[Si](CC)(CC)CC)c1ccccc1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C24H41BO3Si/c1-9-21(25-27-23(5,6)24(7,8)28-25)18-19-22(20-16-14-13-15-17-20)26-29(10-2,11-3)12-4/h13-19,21-22H,9-12H2,1-8H3/b19-18+/t21-,22+/m0/s1
InChIKeyYRDGHHZBFCHFJE-ICWQGCNBSA-N
XLogP7.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.49
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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
1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethanol
CID 71256749
(2E)-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]pentan-1-ol
CID 54756334
Silane, trimethyl(1-phenylethoxy)-
CID 519015
1,2-Ethanediol, phenyl, bis-TMS
CID 530367
1-Propanol, 1-phenyl, TMS
CID 530376
tert-Butyl-[2-(tertbutyldimethylsilyl)oxy-1-phenylethoxy]dimethylsilane
CID 11100658
4-(tert-Butyldimethylsilyloxymethyl)phenylboronic acid
CID 23365435
2-(4-(1-Methoxyethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 68594572
2-[4-(2-Methoxypropan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90202741
Trimethyl(1-phenylprop-2-enoxy)silane
CID 262883
4-Trimethylsilyloxy-4-phenylbut-1-ene
CID 553296

Frequently Asked Questions

What is the IUPAC name of triethyl-[(E,1R,4S)-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enoxy]silane?
The IUPAC name of triethyl-[(E,1R,4S)-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enoxy]silane (CID 154712411) is triethyl-[(E,1R,4S)-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enoxy]silane.
What is the SMILES notation for triethyl-[(E,1R,4S)-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enoxy]silane?
The canonical SMILES for triethyl-[(E,1R,4S)-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enoxy]silane is CC[C@@H](/C=C/[C@@H](O[Si](CC)(CC)CC)c1ccccc1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of triethyl-[(E,1R,4S)-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enoxy]silane?
The InChIKey is YRDGHHZBFCHFJE-ICWQGCNBSA-N. The full InChI is InChI=1S/C24H41BO3Si/c1-9-21(25-27-23(5,6)24(7,8)28-25)18-19-22(20-16-14-13-15-17-20)26-29(10-2,11-3)12-4/h13-19,21-22H,9-12H2,1-8H3/b19-18+/t21-,22+/m0/s1.
What are the key properties of triethyl-[(E,1R,4S)-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enoxy]silane?
triethyl-[(E,1R,4S)-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enoxy]silane has a molecular weight of 416.49 g/mol, XLogP of 7.18, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(E,1R,4S)-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enoxy]silane is sourced from PubChem (CID 154712411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).