N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-methoxyhydroxylamine

C30H40BNO5Si — CID 123245037

IUPACN-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-methoxyhydroxylamine
SMILESCON(O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H40BNO5Si/c1-28(2,3)38(23-16-11-9-12-17-23,24-18-13-10-14-19-24)35-22-25-26(20-15-21-27(25)32(33)34-8)31-36-29(4,5)30(6,7)37-31/h9-21,33H,22H2,1-8H3
InChIKeyWMPAJTCIQGGRII-UHFFFAOYSA-N
MW533.55 g/mol
LogP4.82
Rot. Bonds8

About N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-methoxyhydroxylamine

N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-methoxyhydroxylamine (PubChem CID 123245037) has the molecular formula C30H40BNO5Si and a molecular weight of 533.55 g/mol. Its IUPAC name is N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-methoxyhydroxylamine.

Molecular Properties

Compound NameN-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-methoxyhydroxylamine
PubChem CID123245037
Molecular FormulaC30H40BNO5Si
Molecular Weight533.55 g/mol
Exact Mass533.28
IUPAC NameN-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-methoxyhydroxylamine
SMILESCON(O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H40BNO5Si/c1-28(2,3)38(23-16-11-9-12-17-23,24-18-13-10-14-19-24)35-22-25-26(20-15-21-27(25)32(33)34-8)31-36-29(4,5)30(6,7)37-31/h9-21,33H,22H2,1-8H3
InChIKeyWMPAJTCIQGGRII-UHFFFAOYSA-N
XLogP4.82
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.55
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 171455039
N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-methoxy-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
CID 150977342
tert-butyl-diphenyl-[[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]cyclohexyl]methoxy]silane
CID 162725493
tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane
CID 135028969
tert-butyl-[(3S)-5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexoxy]-diphenylsilane
CID 154585580
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
N,N-diethyl-2-(N-methylanilino)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 102175312
3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropan-1-ol
CID 125483258
tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]-phenylmethanol
CID 102217007

Frequently Asked Questions

What is the IUPAC name of N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-methoxyhydroxylamine?
The IUPAC name of N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-methoxyhydroxylamine (CID 123245037) is N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-methoxyhydroxylamine.
What is the SMILES notation for N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-methoxyhydroxylamine?
The canonical SMILES for N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-methoxyhydroxylamine is CON(O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-methoxyhydroxylamine?
The InChIKey is WMPAJTCIQGGRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40BNO5Si/c1-28(2,3)38(23-16-11-9-12-17-23,24-18-13-10-14-19-24)35-22-25-26(20-15-21-27(25)32(33)34-8)31-36-29(4,5)30(6,7)37-31/h9-21,33H,22H2,1-8H3.
What are the key properties of N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-methoxyhydroxylamine?
N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-methoxyhydroxylamine has a molecular weight of 533.55 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-methoxyhydroxylamine is sourced from PubChem (CID 123245037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).