tert-butyl-[1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylsilane

C38H34O2Si — CID 69016008

IUPACtert-butyl-[1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylsilane
SMILESC=COc1ccc2ccccc2c1-c1c(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)ccc2ccccc12
InChIInChI=1S/C38H34O2Si/c1-5-39-34-26-24-28-16-12-14-22-32(28)36(34)37-33-23-15-13-17-29(33)25-27-35(37)40-41(38(2,3)4,30-18-8-6-9-19-30)31-20-10-7-11-21-31/h5-27H,1H2,2-4H3
InChIKeyHRYKNAMVQYNKRE-UHFFFAOYSA-N
MW550.77 g/mol
LogP9.12
Rot. Bonds7

About tert-butyl-[1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylsilane

tert-butyl-[1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylsilane (PubChem CID 69016008) has the molecular formula C38H34O2Si and a molecular weight of 550.77 g/mol. Its IUPAC name is tert-butyl-[1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylsilane
PubChem CID69016008
Molecular FormulaC38H34O2Si
Molecular Weight550.77 g/mol
Exact Mass550.23
IUPAC Nametert-butyl-[1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylsilane
SMILESC=COc1ccc2ccccc2c1-c1c(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)ccc2ccccc12
InChIInChI=1S/C38H34O2Si/c1-5-39-34-26-24-28-16-12-14-22-32(28)36(34)37-33-23-15-13-17-29(33)25-27-35(37)40-41(38(2,3)4,30-18-8-6-9-19-30)31-20-10-7-11-21-31/h5-27H,1H2,2-4H3
InChIKeyHRYKNAMVQYNKRE-UHFFFAOYSA-N
XLogP9.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.77
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-ol
CID 22935839
(3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane
CID 101484237
trimethyl-[1-(2-trimethylsilyloxynaphthalen-1-yl)naphthalen-2-yl]oxysilane
CID 53486788
[1-(2-dimethylphosphanyloxynaphthalen-1-yl)naphthalen-2-yl]oxy-dimethylphosphane
CID 20820418
2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde
CID 44598255
(2E)-2-[6-[tert-butyl(diphenyl)silyl]oxy-7-prop-2-enyl-2,3-dihydroinden-1-ylidene]acetonitrile
CID 50993085
tert-butyl-[(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 11028852
4-[tert-butyl(diphenyl)silyl]oxy-3-methoxybenzaldehyde
CID 11395179
tert-butyl-[2-(cyclopropylidenemethyl)phenoxy]-diphenylsilane
CID 101450805
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
tert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane
CID 135016093
[4-[tert-butyl(diphenyl)silyl]oxy-2,6-bis(ethenyl)phenyl] acetate
CID 102427831

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylsilane (CID 69016008) is tert-butyl-[1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylsilane is C=COc1ccc2ccccc2c1-c1c(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)ccc2ccccc12.
What is the InChIKey of tert-butyl-[1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylsilane?
The InChIKey is HRYKNAMVQYNKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34O2Si/c1-5-39-34-26-24-28-16-12-14-22-32(28)36(34)37-33-23-15-13-17-29(33)25-27-35(37)40-41(38(2,3)4,30-18-8-6-9-19-30)31-20-10-7-11-21-31/h5-27H,1H2,2-4H3.
What are the key properties of tert-butyl-[1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylsilane?
tert-butyl-[1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylsilane has a molecular weight of 550.77 g/mol, XLogP of 9.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(2-ethenoxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylsilane is sourced from PubChem (CID 69016008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).