5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]thiophene-2-carbaldehyde

C14H24O2SSi — CID 131735364

IUPAC5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]thiophene-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCCCc1ccc(C=O)s1
InChIInChI=1S/C14H24O2SSi/c1-14(2,3)18(4,5)16-10-6-7-12-8-9-13(11-15)17-12/h8-9,11H,6-7,10H2,1-5H3
InChIKeyYAWAXSYKMHRLDK-UHFFFAOYSA-N
MW284.50 g/mol
LogP4.51
Rot. Bonds6

About 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]thiophene-2-carbaldehyde

5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]thiophene-2-carbaldehyde (PubChem CID 131735364) has the molecular formula C14H24O2SSi and a molecular weight of 284.50 g/mol. Its IUPAC name is 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]thiophene-2-carbaldehyde
PubChem CID131735364
Molecular FormulaC14H24O2SSi
Molecular Weight284.50 g/mol
Exact Mass284.13
IUPAC Name5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]thiophene-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCCCc1ccc(C=O)s1
InChIInChI=1S/C14H24O2SSi/c1-14(2,3)18(4,5)16-10-6-7-12-8-9-13(11-15)17-12/h8-9,11H,6-7,10H2,1-5H3
InChIKeyYAWAXSYKMHRLDK-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.50
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3-[3-(5-hexylthiophen-2-yl)-3-hydroxy-2-methylpropanoyl]-4-hydroxypyran-2-one;6-[5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-4-hydroxy-3-propanoylpyran-2-one;5-hexylthiophene-2-carbaldehyde
CID 159395540
tert-butyl-dimethyl-[6-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]hexoxy]silane
CID 59207290
5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylic acid
CID 18629051
2-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]benzaldehyde
CID 175203615
4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 86731586
tert-butyl-dimethyl-(8-thiophen-2-yloctoxy)silane
CID 140913096
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzaldehyde
CID 13305849
tert-butyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylate
CID 91809539
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
5-[4-[7-[tert-butyl(dimethyl)silyl]oxyheptyl-methylamino]phenyl]thieno[3,2-b]thiophene-2-carbaldehyde
CID 176889309

Frequently Asked Questions

What is the IUPAC name of 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]thiophene-2-carbaldehyde (CID 131735364) is 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]thiophene-2-carbaldehyde is CC(C)(C)[Si](C)(C)OCCCc1ccc(C=O)s1.
What is the InChIKey of 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]thiophene-2-carbaldehyde?
The InChIKey is YAWAXSYKMHRLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2SSi/c1-14(2,3)18(4,5)16-10-6-7-12-8-9-13(11-15)17-12/h8-9,11H,6-7,10H2,1-5H3.
What are the key properties of 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]thiophene-2-carbaldehyde?
5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]thiophene-2-carbaldehyde has a molecular weight of 284.50 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 131735364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).