tert-butyl-[(1S)-1-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]-dimethylsilane

C20H34BClO3Si — CID 67429299

IUPACtert-butyl-[(1S)-1-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]-dimethylsilane
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl
InChIInChI=1S/C20H34BClO3Si/c1-14(23-26(9,10)18(2,3)4)16-12-11-15(13-17(16)22)21-24-19(5,6)20(7,8)25-21/h11-14H,1-10H3/t14-/m0/s1
InChIKeyZGPKQUJEBOORKV-AWEZNQCLSA-N
MW396.84 g/mol
LogP5.72
Rot. Bonds4

About tert-butyl-[(1S)-1-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]-dimethylsilane

tert-butyl-[(1S)-1-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]-dimethylsilane (PubChem CID 67429299) has the molecular formula C20H34BClO3Si and a molecular weight of 396.84 g/mol. Its IUPAC name is tert-butyl-[(1S)-1-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S)-1-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]-dimethylsilane
PubChem CID67429299
Molecular FormulaC20H34BClO3Si
Molecular Weight396.84 g/mol
Exact Mass396.21
IUPAC Nametert-butyl-[(1S)-1-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]-dimethylsilane
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl
InChIInChI=1S/C20H34BClO3Si/c1-14(23-26(9,10)18(2,3)4)16-12-11-15(13-17(16)22)21-24-19(5,6)20(7,8)25-21/h11-14H,1-10H3/t14-/m0/s1
InChIKeyZGPKQUJEBOORKV-AWEZNQCLSA-N
XLogP5.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.84
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S)-1-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S)-1-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]-dimethylsilane (CID 67429299) is tert-butyl-[(1S)-1-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S)-1-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S)-1-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]-dimethylsilane is C[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl.
What is the InChIKey of tert-butyl-[(1S)-1-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]-dimethylsilane?
The InChIKey is ZGPKQUJEBOORKV-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H34BClO3Si/c1-14(23-26(9,10)18(2,3)4)16-12-11-15(13-17(16)22)21-24-19(5,6)20(7,8)25-21/h11-14H,1-10H3/t14-/m0/s1.
What are the key properties of tert-butyl-[(1S)-1-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]-dimethylsilane?
tert-butyl-[(1S)-1-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]-dimethylsilane has a molecular weight of 396.84 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S)-1-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]-dimethylsilane is sourced from PubChem (CID 67429299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).