2-[tert-butyl(diphenyl)silyl]acetaldehyde

C18H22OSi — CID 10379059

IUPAC2-[tert-butyl(diphenyl)silyl]acetaldehyde
SMILESCC(C)(C)[Si](CC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22OSi/c1-18(2,3)20(15-14-19,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-14H,15H2,1-3H3
InChIKeyRDZZFTUSYDEIMW-UHFFFAOYSA-N
MW282.46 g/mol
LogP3.25
Rot. Bonds4

About 2-[tert-butyl(diphenyl)silyl]acetaldehyde

2-[tert-butyl(diphenyl)silyl]acetaldehyde (PubChem CID 10379059) has the molecular formula C18H22OSi and a molecular weight of 282.46 g/mol. Its IUPAC name is 2-[tert-butyl(diphenyl)silyl]acetaldehyde.

Molecular Properties

Compound Name2-[tert-butyl(diphenyl)silyl]acetaldehyde
PubChem CID10379059
Molecular FormulaC18H22OSi
Molecular Weight282.46 g/mol
Exact Mass282.14
IUPAC Name2-[tert-butyl(diphenyl)silyl]acetaldehyde
SMILESCC(C)(C)[Si](CC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22OSi/c1-18(2,3)20(15-14-19,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-14H,15H2,1-3H3
InChIKeyRDZZFTUSYDEIMW-UHFFFAOYSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(diphenyl)silyl]acetaldehyde?
The IUPAC name of 2-[tert-butyl(diphenyl)silyl]acetaldehyde (CID 10379059) is 2-[tert-butyl(diphenyl)silyl]acetaldehyde.
What is the SMILES notation for 2-[tert-butyl(diphenyl)silyl]acetaldehyde?
The canonical SMILES for 2-[tert-butyl(diphenyl)silyl]acetaldehyde is CC(C)(C)[Si](CC=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[tert-butyl(diphenyl)silyl]acetaldehyde?
The InChIKey is RDZZFTUSYDEIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22OSi/c1-18(2,3)20(15-14-19,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-14H,15H2,1-3H3.
What are the key properties of 2-[tert-butyl(diphenyl)silyl]acetaldehyde?
2-[tert-butyl(diphenyl)silyl]acetaldehyde has a molecular weight of 282.46 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(diphenyl)silyl]acetaldehyde is sourced from PubChem (CID 10379059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).