tert-butyl-dimethyl-[(2S,4R)-2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-en-2-yl]oxysilane

C25H43BO3Si — CID 154712101

IUPACtert-butyl-dimethyl-[(2S,4R)-2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-en-2-yl]oxysilane
SMILESC=CC[C@H](C[C@](C)(O[Si](C)(C)C(C)(C)C)c1ccccc1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C25H43BO3Si/c1-12-16-21(26-27-23(5,6)24(7,8)28-26)19-25(9,20-17-14-13-15-18-20)29-30(10,11)22(2,3)4/h12-15,17-18,21H,1,16,19H2,2-11H3/t21-,25+/m1/s1
InChIKeySUFRUOAWFFCGCQ-BWKNWUBXSA-N
MW430.51 g/mol
LogP7.35
Rot. Bonds8

About tert-butyl-dimethyl-[(2S,4R)-2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-en-2-yl]oxysilane

tert-butyl-dimethyl-[(2S,4R)-2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-en-2-yl]oxysilane (PubChem CID 154712101) has the molecular formula C25H43BO3Si and a molecular weight of 430.51 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S,4R)-2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-en-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S,4R)-2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-en-2-yl]oxysilane
PubChem CID154712101
Molecular FormulaC25H43BO3Si
Molecular Weight430.51 g/mol
Exact Mass430.31
IUPAC Nametert-butyl-dimethyl-[(2S,4R)-2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-en-2-yl]oxysilane
SMILESC=CC[C@H](C[C@](C)(O[Si](C)(C)C(C)(C)C)c1ccccc1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C25H43BO3Si/c1-12-16-21(26-27-23(5,6)24(7,8)28-26)19-25(9,20-17-14-13-15-18-20)29-30(10,11)22(2,3)4/h12-15,17-18,21H,1,16,19H2,2-11H3/t21-,25+/m1/s1
InChIKeySUFRUOAWFFCGCQ-BWKNWUBXSA-N
XLogP7.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 57.35
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

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(2E)-1-cyclopropyl-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]heptan-1-ol
CID 54596260
(2E)-1-cyclopropyl-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]pentan-1-ol
CID 54756216
tert-Butyl-[2-(tertbutyldimethylsilyl)oxy-1-phenylethoxy]dimethylsilane
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4-(tert-Butyldimethylsilyloxymethyl)phenylboronic acid
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3-(2-Hydroxypropan-2-yl)phenylboronic acid pinacol ester
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2-(4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propan-2-ol
CID 59166013
2-(4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propan-2-ol
CID 67466689
2-[4-(2-Methoxypropan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90202741
(1,1,1,4,4,4-Hexafluoro-2-methyl-3-phenyl-3-trimethylsilyloxybutan-2-yl)oxy-trimethylsilane
CID 10526738
2,3-Diphenyl-2,3-bis(triethylsiloxy)hexafluorobutane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S,4R)-2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-en-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2S,4R)-2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-en-2-yl]oxysilane (CID 154712101) is tert-butyl-dimethyl-[(2S,4R)-2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-en-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S,4R)-2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-en-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2S,4R)-2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-en-2-yl]oxysilane is C=CC[C@H](C[C@](C)(O[Si](C)(C)C(C)(C)C)c1ccccc1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of tert-butyl-dimethyl-[(2S,4R)-2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-en-2-yl]oxysilane?
The InChIKey is SUFRUOAWFFCGCQ-BWKNWUBXSA-N. The full InChI is InChI=1S/C25H43BO3Si/c1-12-16-21(26-27-23(5,6)24(7,8)28-26)19-25(9,20-17-14-13-15-18-20)29-30(10,11)22(2,3)4/h12-15,17-18,21H,1,16,19H2,2-11H3/t21-,25+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(2S,4R)-2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-en-2-yl]oxysilane?
tert-butyl-dimethyl-[(2S,4R)-2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-en-2-yl]oxysilane has a molecular weight of 430.51 g/mol, XLogP of 7.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S,4R)-2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-en-2-yl]oxysilane is sourced from PubChem (CID 154712101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).