[(5S)-5-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]-tri(propan-2-yl)silane

C26H47BO3Si — CID 138980779

IUPAC[(5S)-5-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCCCC[C@H](B1OC(C)(C)C(C)(C)O1)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C26H47BO3Si/c1-20(2)31(21(3)4,22(5)6)28-19-15-14-18-24(23-16-12-11-13-17-23)27-29-25(7,8)26(9,10)30-27/h11-13,16-17,20-22,24H,14-15,18-19H2,1-10H3/t24-/m0/s1
InChIKeyFZUDRWQQKTWNPW-DEOSSOPVSA-N
MW446.56 g/mol
LogP7.76
Rot. Bonds11

About [(5S)-5-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]-tri(propan-2-yl)silane

[(5S)-5-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]-tri(propan-2-yl)silane (PubChem CID 138980779) has the molecular formula C26H47BO3Si and a molecular weight of 446.56 g/mol. Its IUPAC name is [(5S)-5-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(5S)-5-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]-tri(propan-2-yl)silane
PubChem CID138980779
Molecular FormulaC26H47BO3Si
Molecular Weight446.56 g/mol
Exact Mass446.34
IUPAC Name[(5S)-5-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCCCC[C@H](B1OC(C)(C)C(C)(C)O1)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C26H47BO3Si/c1-20(2)31(21(3)4,22(5)6)28-19-15-14-18-24(23-16-12-11-13-17-23)27-29-25(7,8)26(9,10)30-27/h11-13,16-17,20-22,24H,14-15,18-19H2,1-10H3/t24-/m0/s1
InChIKeyFZUDRWQQKTWNPW-DEOSSOPVSA-N
XLogP7.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.56
LogP ≤ 57.76
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

4,4,5,5-Tetramethyl-2-(4-nonylphenyl)-1,3,2-dioxaborolane
CID 57391611
4,4,5,5-Tetramethyl-2-(4-undecylphenyl)-1,3,2-dioxaborolane
CID 57398310
Silane, (1,1-dimethylethyl)dimethyl(1-methyl-3-phenylpropoxy)-
CID 10890759
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzenepropanol
CID 58685599
4-(4-Tetrahydropyranyl)phenylboronic Acid Pinacol Ester
CID 67249753
2-[4-(2-Methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 68594860
4,4,5,5-Tetramethyl-2-(4-octylphenyl)-1,3,2-dioxaborolane
CID 58823386
1-Triisopropylsilyloxy-3-phenylpropane
CID 619294
2-(3-(2-Methoxyethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 71756944
4,4,5,5-Tetramethyl-2-(3-(tetrahydro-2H-pyran-4-yl)phenyl)-1,3,2-dioxaborolane
CID 133551175
tert-Butyl((3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)oxy)dimethylsilane
CID 135023883
Tert-butyl-[[4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane
CID 135023962

Frequently Asked Questions

What is the IUPAC name of [(5S)-5-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(5S)-5-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]-tri(propan-2-yl)silane (CID 138980779) is [(5S)-5-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(5S)-5-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(5S)-5-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]-tri(propan-2-yl)silane is CC(C)[Si](OCCCC[C@H](B1OC(C)(C)C(C)(C)O1)c1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of [(5S)-5-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]-tri(propan-2-yl)silane?
The InChIKey is FZUDRWQQKTWNPW-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H47BO3Si/c1-20(2)31(21(3)4,22(5)6)28-19-15-14-18-24(23-16-12-11-13-17-23)27-29-25(7,8)26(9,10)30-27/h11-13,16-17,20-22,24H,14-15,18-19H2,1-10H3/t24-/m0/s1.
What are the key properties of [(5S)-5-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]-tri(propan-2-yl)silane?
[(5S)-5-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]-tri(propan-2-yl)silane has a molecular weight of 446.56 g/mol, XLogP of 7.76, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 138980779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).