4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbenzaldehyde

C25H28O2Si — CID 22342923

IUPAC4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbenzaldehyde
SMILESCc1cc(C=O)ccc1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H28O2Si/c1-20-17-21(18-26)15-16-22(20)19-27-28(25(2,3)4,23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-18H,19H2,1-4H3
InChIKeyPBMAUFRCDVZNRR-UHFFFAOYSA-N
MW388.58 g/mol
LogP4.88
Rot. Bonds6

About 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbenzaldehyde

4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbenzaldehyde (PubChem CID 22342923) has the molecular formula C25H28O2Si and a molecular weight of 388.58 g/mol. Its IUPAC name is 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbenzaldehyde.

Molecular Properties

Compound Name4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbenzaldehyde
PubChem CID22342923
Molecular FormulaC25H28O2Si
Molecular Weight388.58 g/mol
Exact Mass388.19
IUPAC Name4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbenzaldehyde
SMILESCc1cc(C=O)ccc1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H28O2Si/c1-20-17-21(18-26)15-16-22(20)19-27-28(25(2,3)4,23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-18H,19H2,1-4H3
InChIKeyPBMAUFRCDVZNRR-UHFFFAOYSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'-Formyl-2'-methyl-(1,1'-biphenyl)-4-carboxylic acid
CID 46839640
(4-Formylphenyl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 52948532
10-(Hydroxymethyl)anthracene-9-carbaldehyde
CID 3765036
3,4-Dimethylbenzoic acid trimethylsilyl ester
CID 53859753
3,4-Dimethylbenzoic acid, tert-butyldimethylsilyl ester
CID 91733937
Methyl 4-(3-phenylphenyl)benzoate
CID 10902285
Methyl 12-formyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5-carboxylate
CID 11055497
Ethyl 3,4-bis(4-formylphenyl)benzoate
CID 102144056
Methyl 3,4-bis(3-ethoxycarbonylphenyl)benzoate
CID 102144061
3-Acetyl-7-methoxymethyl-phenanthrene
CID 129822066
2-[Tri(propan-2-yl)silyloxymethyl]benzaldehyde
CID 10661350
4-(Hydroxydiphenylmethyl)benzaldehyde
CID 10827207

Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbenzaldehyde?
The IUPAC name of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbenzaldehyde (CID 22342923) is 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbenzaldehyde.
What is the SMILES notation for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbenzaldehyde?
The canonical SMILES for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbenzaldehyde is Cc1cc(C=O)ccc1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbenzaldehyde?
The InChIKey is PBMAUFRCDVZNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O2Si/c1-20-17-21(18-26)15-16-22(20)19-27-28(25(2,3)4,23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-18H,19H2,1-4H3.
What are the key properties of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbenzaldehyde?
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbenzaldehyde has a molecular weight of 388.58 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbenzaldehyde is sourced from PubChem (CID 22342923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).