2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde

C39H42O3Si2 — CID 44598255

IUPAC2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde
SMILESCC(C)(C)[Si](Oc1ccc(C=O)c(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H42O3Si2/c1-38(2,3)43(33-19-11-7-12-20-33,34-21-13-8-14-22-34)41-32-28-27-31(30-40)37(29-32)42-44(39(4,5)6,35-23-15-9-16-24-35)36-25-17-10-18-26-36/h7-30H,1-6H3
InChIKeyWSPGRMWYMUGDIF-UHFFFAOYSA-N
MW614.93 g/mol
LogP7.38
Rot. Bonds9

About 2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde

2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde (PubChem CID 44598255) has the molecular formula C39H42O3Si2 and a molecular weight of 614.93 g/mol. Its IUPAC name is 2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde.

Molecular Properties

Compound Name2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde
PubChem CID44598255
Molecular FormulaC39H42O3Si2
Molecular Weight614.93 g/mol
Exact Mass614.27
IUPAC Name2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde
SMILESCC(C)(C)[Si](Oc1ccc(C=O)c(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H42O3Si2/c1-38(2,3)43(33-19-11-7-12-20-33,34-21-13-8-14-22-34)41-32-28-27-31(30-40)37(29-32)42-44(39(4,5)6,35-23-15-9-16-24-35)36-25-17-10-18-26-36/h7-30H,1-6H3
InChIKeyWSPGRMWYMUGDIF-UHFFFAOYSA-N
XLogP7.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.93
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[tert-butyl(diphenyl)silyl]oxy-3-methoxybenzaldehyde
CID 11395179
2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzaldehyde
CID 23165516
[4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium
CID 140590234
[3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-(2-oxoethyl)phenyl] trifluoromethanesulfonate
CID 135010974
(3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane
CID 101484237
[4-[tert-butyl(diphenyl)silyl]oxy-2,6-bis(ethenyl)phenyl] acetate
CID 102427831
5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxybenzamide
CID 177114927
3-[6-[tert-butyl(diphenyl)silyl]oxy-1-methyl-2,3-dihydroinden-1-yl]prop-2-enal
CID 173311465
methyl 6-[tert-butyl(diphenyl)silyl]oxynaphthalene-2-carboxylate
CID 14645565
tert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane
CID 135016093
tert-butyl-[2-(cyclopropylidenemethyl)phenoxy]-diphenylsilane
CID 101450805
7-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydrochromen-4-one
CID 58438647

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde?
The IUPAC name of 2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde (CID 44598255) is 2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde.
What is the SMILES notation for 2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde?
The canonical SMILES for 2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde is CC(C)(C)[Si](Oc1ccc(C=O)c(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde?
The InChIKey is WSPGRMWYMUGDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42O3Si2/c1-38(2,3)43(33-19-11-7-12-20-33,34-21-13-8-14-22-34)41-32-28-27-31(30-40)37(29-32)42-44(39(4,5)6,35-23-15-9-16-24-35)36-25-17-10-18-26-36/h7-30H,1-6H3.
What are the key properties of 2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde?
2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde has a molecular weight of 614.93 g/mol, XLogP of 7.38, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde is sourced from PubChem (CID 44598255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).