(3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane

C26H25BrOSi — CID 101484237

IUPAC(3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](Oc1cc2ccccc2cc1Br)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25BrOSi/c1-26(2,3)29(22-14-6-4-7-15-22,23-16-8-5-9-17-23)28-25-19-21-13-11-10-12-20(21)18-24(25)27/h4-19H,1-3H3
InChIKeyPAWROTRXRRRUFR-UHFFFAOYSA-N
MW461.48 g/mol
LogP6.54
Rot. Bonds4

About (3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane

(3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane (PubChem CID 101484237) has the molecular formula C26H25BrOSi and a molecular weight of 461.48 g/mol. Its IUPAC name is (3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name(3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane
PubChem CID101484237
Molecular FormulaC26H25BrOSi
Molecular Weight461.48 g/mol
Exact Mass460.09
IUPAC Name(3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](Oc1cc2ccccc2cc1Br)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25BrOSi/c1-26(2,3)29(22-14-6-4-7-15-22,23-16-8-5-9-17-23)28-25-19-21-13-11-10-12-20(21)18-24(25)27/h4-19H,1-3H3
InChIKeyPAWROTRXRRRUFR-UHFFFAOYSA-N
XLogP6.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.48
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde
CID 44598255
tert-butyl-[1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylsilane
CID 69016008
[4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium
CID 140590234
3-[tert-butyl(diphenyl)silyl]oxy-N-(4-methoxyphenyl)-4-methylaniline
CID 44515131
[5-[(E)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]-tert-butyl-diphenylsilane
CID 11635755
tert-butyl-(2-nitrophenoxy)-diphenylsilane
CID 91423635
4-[tert-butyl(diphenyl)silyl]oxy-3-methoxybenzaldehyde
CID 11395179
[2-(2-bromoethyl)-3-pyridinyl]oxy-tert-butyl-diphenylsilane
CID 174605856
tert-butyl-[2-(cyclopropylidenemethyl)phenoxy]-diphenylsilane
CID 101450805
tert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane
CID 135016093
methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-methoxynaphthalene-2-carboxylate
CID 140692804
methyl 5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxynaphthalene-2-carboxylate
CID 123544517

Frequently Asked Questions

What is the IUPAC name of (3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane?
The IUPAC name of (3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane (CID 101484237) is (3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane.
What is the SMILES notation for (3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane?
The canonical SMILES for (3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](Oc1cc2ccccc2cc1Br)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane?
The InChIKey is PAWROTRXRRRUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25BrOSi/c1-26(2,3)29(22-14-6-4-7-15-22,23-16-8-5-9-17-23)28-25-19-21-13-11-10-12-20(21)18-24(25)27/h4-19H,1-3H3.
What are the key properties of (3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane?
(3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane has a molecular weight of 461.48 g/mol, XLogP of 6.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 101484237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).