2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropanal

C16H26O2Si — CID 23439965

IUPAC2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropanal
SMILESCC(C)(C=O)c1cccc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C16H26O2Si/c1-15(2,3)19(6,7)18-14-10-8-9-13(11-14)16(4,5)12-17/h8-12H,1-7H3
InChIKeyQXRCMWMUXSDCAO-UHFFFAOYSA-N
MW278.47 g/mol
LogP4.55
Rot. Bonds4

About 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropanal

2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropanal (PubChem CID 23439965) has the molecular formula C16H26O2Si and a molecular weight of 278.47 g/mol. Its IUPAC name is 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropanal.

Molecular Properties

Compound Name2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropanal
PubChem CID23439965
Molecular FormulaC16H26O2Si
Molecular Weight278.47 g/mol
Exact Mass278.17
IUPAC Name2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropanal
SMILESCC(C)(C=O)c1cccc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C16H26O2Si/c1-15(2,3)19(6,7)18-14-10-8-9-13(11-14)16(4,5)12-17/h8-12H,1-7H3
InChIKeyQXRCMWMUXSDCAO-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 54.55
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'}

Analyze 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propanal
CID 102344497
tert-butyl-(3-iodophenoxy)-dimethylsilane
CID 2757280
1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanol
CID 66660384
tert-butyl-chloro-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde;3-hydroxybenzaldehyde
CID 160501049
1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one
CID 15049953
(R)-(3-bromophenyl)-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol
CID 129403833
2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]isoindole-1,3-dione
CID 101154942
tert-butyl-dimethyl-[3-(1-methylcyclopropyl)phenoxy]silane
CID 140678448
(Z)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile
CID 23439964
[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(2-chlorophenyl)-(3-methylphenyl)methanol
CID 159500397
3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]pent-2-enoic acid
CID 68579544

Frequently Asked Questions

What is the IUPAC name of 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropanal?
The IUPAC name of 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropanal (CID 23439965) is 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropanal.
What is the SMILES notation for 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropanal?
The canonical SMILES for 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropanal is CC(C)(C=O)c1cccc(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropanal?
The InChIKey is QXRCMWMUXSDCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2Si/c1-15(2,3)19(6,7)18-14-10-8-9-13(11-14)16(4,5)12-17/h8-12H,1-7H3.
What are the key properties of 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropanal?
2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropanal has a molecular weight of 278.47 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropanal is sourced from PubChem (CID 23439965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).