tert-butyl-[2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane

C20H35BO3Si — CID 167730544

IUPACtert-butyl-[2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane
SMILESCCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H35BO3Si/c1-11-15-14-16(21-23-19(5,6)20(7,8)24-21)12-13-17(15)22-25(9,10)18(2,3)4/h12-14H,11H2,1-10H3
InChIKeyLONDMFNDPKOIJU-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.93
Rot. Bonds4

About tert-butyl-[2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane

tert-butyl-[2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane (PubChem CID 167730544) has the molecular formula C20H35BO3Si and a molecular weight of 362.40 g/mol. Its IUPAC name is tert-butyl-[2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane
PubChem CID167730544
Molecular FormulaC20H35BO3Si
Molecular Weight362.40 g/mol
Exact Mass362.24
IUPAC Nametert-butyl-[2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane
SMILESCCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H35BO3Si/c1-11-15-14-16(21-23-19(5,6)20(7,8)24-21)12-13-17(15)22-25(9,10)18(2,3)4/h12-14H,11H2,1-10H3
InChIKeyLONDMFNDPKOIJU-UHFFFAOYSA-N
XLogP4.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] propanoate
CID 174986607
tert-butyl-[2,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane
CID 163353944
[4-[4,6-bis[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-1,3,5,2,4,6-trioxatriborinan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane
CID 45379123
ethane;2-(3-ethyl-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 144795670
1-[2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-4-methylpentan-2-one
CID 161196453
[2-(1,1-difluoroethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
CID 162611613
tert-butyl-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane
CID 135742476
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-trimethylsilyloxybenzaldehyde
CID 167729950
[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl hypofluorite
CID 145420344
CID 175457600
CID 175457600
tert-butyl N-[[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate
CID 59219171
tert-butyl-[(1S)-1-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]-dimethylsilane
CID 67429299

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane (CID 167730544) is tert-butyl-[2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane is CCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane?
The InChIKey is LONDMFNDPKOIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35BO3Si/c1-11-15-14-16(21-23-19(5,6)20(7,8)24-21)12-13-17(15)22-25(9,10)18(2,3)4/h12-14H,11H2,1-10H3.
What are the key properties of tert-butyl-[2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane?
tert-butyl-[2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane has a molecular weight of 362.40 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane is sourced from PubChem (CID 167730544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).