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

C21H36B2O4Si — CID 15543911

IUPAC[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane
SMILESCC1(C)OB(c2cc(B3OC(C)(C)C(C)(C)O3)cc([Si](C)(C)C)c2)OC1(C)C
InChIInChI=1S/C21H36B2O4Si/c1-18(2)19(3,4)25-22(24-18)15-12-16(14-17(13-15)28(9,10)11)23-26-20(5,6)21(7,8)27-23/h12-14H,1-11H3
InChIKeyAJDXLEWIPJOTCT-UHFFFAOYSA-N
MW402.23 g/mol
LogP2.83
Rot. Bonds3

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

[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane (PubChem CID 15543911) has the molecular formula C21H36B2O4Si and a molecular weight of 402.23 g/mol. Its IUPAC name is [3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane.

Molecular Properties

Compound Name[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane
PubChem CID15543911
Molecular FormulaC21H36B2O4Si
Molecular Weight402.23 g/mol
Exact Mass402.26
IUPAC Name[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane
SMILESCC1(C)OB(c2cc(B3OC(C)(C)C(C)(C)O3)cc([Si](C)(C)C)c2)OC1(C)C
InChIInChI=1S/C21H36B2O4Si/c1-18(2)19(3,4)25-22(24-18)15-12-16(14-17(13-15)28(9,10)11)23-26-20(5,6)21(7,8)27-23/h12-14H,1-11H3
InChIKeyAJDXLEWIPJOTCT-UHFFFAOYSA-N
XLogP2.83
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.23
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10762705
2-[3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 132508664
2-[4-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,5-dimethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90049145
2-(3,5-difluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 131676913
2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CID 2734649
2-(4-fluoro-3,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 56973158
4,4,5,5-tetramethyl-2-[2,4,5-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 66897544
2-[3,5-bis(ethenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 170692995
4-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,6-diphenylpyridine
CID 70847694
6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 162342484
4,4,5,5-tetramethyl-2-pyren-2-yl-1,3,2-dioxaborolane
CID 139146026
2-[3,5-bis(3,5-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140797005

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane?
The IUPAC name of [3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane (CID 15543911) is [3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane.
What is the SMILES notation for [3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane?
The canonical SMILES for [3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane is CC1(C)OB(c2cc(B3OC(C)(C)C(C)(C)O3)cc([Si](C)(C)C)c2)OC1(C)C.
What is the InChIKey of [3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane?
The InChIKey is AJDXLEWIPJOTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36B2O4Si/c1-18(2)19(3,4)25-22(24-18)15-12-16(14-17(13-15)28(9,10)11)23-26-20(5,6)21(7,8)27-23/h12-14H,1-11H3.
What are the key properties of [3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane?
[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane has a molecular weight of 402.23 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane is sourced from PubChem (CID 15543911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).