N-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-methylboronamidic acid

C17H26BNO2Si — CID 22966399

IUPACN-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-methylboronamidic acid
SMILESCB(O)Nc1cccc2ccc(O[Si](C)(C)C(C)(C)C)cc12
InChIInChI=1S/C17H26BNO2Si/c1-17(2,3)22(5,6)21-14-11-10-13-8-7-9-16(15(13)12-14)19-18(4)20/h7-12,19-20H,1-6H3
InChIKeyHKMNOBJZYHCOBH-UHFFFAOYSA-N
MW315.30 g/mol
LogP4.75
Rot. Bonds4

About N-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-methylboronamidic acid

N-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-methylboronamidic acid (PubChem CID 22966399) has the molecular formula C17H26BNO2Si and a molecular weight of 315.30 g/mol. Its IUPAC name is N-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-methylboronamidic acid.

Molecular Properties

Compound NameN-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-methylboronamidic acid
PubChem CID22966399
Molecular FormulaC17H26BNO2Si
Molecular Weight315.30 g/mol
Exact Mass315.18
IUPAC NameN-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-methylboronamidic acid
SMILESCB(O)Nc1cccc2ccc(O[Si](C)(C)C(C)(C)C)cc12
InChIInChI=1S/C17H26BNO2Si/c1-17(2,3)22(5,6)21-14-11-10-13-8-7-9-16(15(13)12-14)19-18(4)20/h7-12,19-20H,1-6H3
InChIKeyHKMNOBJZYHCOBH-UHFFFAOYSA-N
XLogP4.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-methylboronamidic acid?
The IUPAC name of N-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-methylboronamidic acid (CID 22966399) is N-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-methylboronamidic acid.
What is the SMILES notation for N-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-methylboronamidic acid?
The canonical SMILES for N-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-methylboronamidic acid is CB(O)Nc1cccc2ccc(O[Si](C)(C)C(C)(C)C)cc12.
What is the InChIKey of N-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-methylboronamidic acid?
The InChIKey is HKMNOBJZYHCOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BNO2Si/c1-17(2,3)22(5,6)21-14-11-10-13-8-7-9-16(15(13)12-14)19-18(4)20/h7-12,19-20H,1-6H3.
What are the key properties of N-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-methylboronamidic acid?
N-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-methylboronamidic acid has a molecular weight of 315.30 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]-methylboronamidic acid is sourced from PubChem (CID 22966399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).