Boronic acid,B-[6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-naphthalenyl]-

C16H22BO3Si — CID 53405496

IUPAC—
SMILESC[Si](C)Oc1c(B(O)O)ccc2cc(C(C)(C)C)ccc12
InChIInChI=1S/C16H22BO3Si/c1-16(2,3)12-7-8-13-11(10-12)6-9-14(17(18)19)15(13)20-21(4)5/h6-10,18-19H,1-5H3
InChIKeyPPBKORVDTDHNSD-UHFFFAOYSA-N
MW301.25 g/mol
LogP2.45
Rot. Bonds3

About Boronic acid,B-[6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-naphthalenyl]-

Boronic acid,B-[6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-naphthalenyl]- (PubChem CID 53405496) has the molecular formula C16H22BO3Si and a molecular weight of 301.25 g/mol.

Molecular Properties

Compound NameBoronic acid,B-[6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-naphthalenyl]-
PubChem CID53405496
Molecular FormulaC16H22BO3Si
Molecular Weight301.25 g/mol
Exact Mass301.14
IUPAC Name—
SMILESC[Si](C)Oc1c(B(O)O)ccc2cc(C(C)(C)C)ccc12
InChIInChI=1S/C16H22BO3Si/c1-16(2,3)12-7-8-13-11(10-12)6-9-14(17(18)19)15(13)20-21(4)5/h6-10,18-19H,1-5H3
InChIKeyPPBKORVDTDHNSD-UHFFFAOYSA-N
XLogP2.45
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 52.45
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 Boronic acid,B-[6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-naphthalenyl]-?
The IUPAC name of Boronic acid,B-[6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-naphthalenyl]- (CID 53405496) is not available.
What is the SMILES notation for Boronic acid,B-[6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-naphthalenyl]-?
The canonical SMILES for Boronic acid,B-[6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-naphthalenyl]- is C[Si](C)Oc1c(B(O)O)ccc2cc(C(C)(C)C)ccc12.
What is the InChIKey of Boronic acid,B-[6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-naphthalenyl]-?
The InChIKey is PPBKORVDTDHNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BO3Si/c1-16(2,3)12-7-8-13-11(10-12)6-9-14(17(18)19)15(13)20-21(4)5/h6-10,18-19H,1-5H3.
What are the key properties of Boronic acid,B-[6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-naphthalenyl]-?
Boronic acid,B-[6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-naphthalenyl]- has a molecular weight of 301.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Boronic acid,B-[6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-naphthalenyl]- is sourced from PubChem (CID 53405496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).