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

C15H24O2Si — CID 102344497

IUPAC2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propanal
SMILESCC(C=O)c1cccc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C15H24O2Si/c1-12(11-16)13-8-7-9-14(10-13)17-18(5,6)15(2,3)4/h7-12H,1-6H3
InChIKeyZACQLRYKLYTBLB-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.37
Rot. Bonds4

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

2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propanal (PubChem CID 102344497) has the molecular formula C15H24O2Si and a molecular weight of 264.44 g/mol. Its IUPAC name is 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propanal.

Molecular Properties

Compound Name2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propanal
PubChem CID102344497
Molecular FormulaC15H24O2Si
Molecular Weight264.44 g/mol
Exact Mass264.15
IUPAC Name2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propanal
SMILESCC(C=O)c1cccc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C15H24O2Si/c1-12(11-16)13-8-7-9-14(10-13)17-18(5,6)15(2,3)4/h7-12H,1-6H3
InChIKeyZACQLRYKLYTBLB-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 54.37
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

1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanol
CID 66660384
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropanal
CID 23439965
(2R)-2-(3-phenoxyphenyl)propanal
CID 92977533
(R)-(3-bromophenyl)-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol
CID 129403833
methyl 5-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-2-enoate
CID 90988702
tert-butyl-(3-iodophenoxy)-dimethylsilane
CID 2757280
methyl (3S)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-cyclopropyl-2-fluoro-2-methylpropanoate
CID 151278311
tert-butyl-dimethyl-[3-(3-methyl-2-propan-2-yl-1-propan-2-yloxybut-1-enyl)phenoxy]silane
CID 15880823
(2R)-2-(3-methylphenyl)propanal
CID 15372593
(2S)-2-(3-methylphenyl)propanal
CID 124547254
tert-butyl-chloro-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde;3-hydroxybenzaldehyde
CID 160501049

Frequently Asked Questions

What is the IUPAC name of 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propanal?
The IUPAC name of 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propanal (CID 102344497) is 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propanal.
What is the SMILES notation for 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propanal?
The canonical SMILES for 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propanal is CC(C=O)c1cccc(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propanal?
The InChIKey is ZACQLRYKLYTBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2Si/c1-12(11-16)13-8-7-9-14(10-13)17-18(5,6)15(2,3)4/h7-12H,1-6H3.
What are the key properties of 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propanal?
2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propanal has a molecular weight of 264.44 g/mol, XLogP of 4.37, 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]propanal is sourced from PubChem (CID 102344497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).