5-[tert-butyl(dimethyl)silyl]pent-4-ynal

C11H20OSi — CID 10932387

IUPAC5-[tert-butyl(dimethyl)silyl]pent-4-ynal
SMILESCC(C)(C)[Si](C)(C)C#CCCC=O
InChIInChI=1S/C11H20OSi/c1-11(2,3)13(4,5)10-8-6-7-9-12/h9H,6-7H2,1-5H3
InChIKeyLWFZPWAJAGCRSF-UHFFFAOYSA-N
MW196.37 g/mol
LogP3.02
Rot. Bonds2

About 5-[tert-butyl(dimethyl)silyl]pent-4-ynal

5-[tert-butyl(dimethyl)silyl]pent-4-ynal (PubChem CID 10932387) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]pent-4-ynal.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]pent-4-ynal
PubChem CID10932387
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name5-[tert-butyl(dimethyl)silyl]pent-4-ynal
SMILESCC(C)(C)[Si](C)(C)C#CCCC=O
InChIInChI=1S/C11H20OSi/c1-11(2,3)13(4,5)10-8-6-7-9-12/h9H,6-7H2,1-5H3
InChIKeyLWFZPWAJAGCRSF-UHFFFAOYSA-N
XLogP3.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(Triisopropylsilyl)propiolaldehyde
CID 11095897
5-((Tert-butyldimethylsilyl)oxy)pent-2-ynal
CID 14591859
1-(2-(Trimethylsilyl)ethynyl)cyclopropane-1-carbaldehyde
CID 11805133
3-tert-Butyldimethylsilylpropynal
CID 2757282
3-Triethylsilylpropynal
CID 2760696
4-Pentynal, 5-(trimethylsilyl)-
CID 10888132
2-[Tert-butyl(dimethyl)silyl]propanal
CID 11789684
Triethylsilylbutanal
CID 20405688
5-(Triisopropylsilyl)pent-4-ynal
CID 42636688
(2R)-2-methyl-5-trimethylsilylpent-4-ynal
CID 59125851
4-(Trimethylsilyl)but-3-ynal
CID 71367313
(3R)-3-methyl-5-tri(propan-2-yl)silylpent-4-ynal
CID 138980713

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]pent-4-ynal?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]pent-4-ynal (CID 10932387) is 5-[tert-butyl(dimethyl)silyl]pent-4-ynal.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]pent-4-ynal?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]pent-4-ynal is CC(C)(C)[Si](C)(C)C#CCCC=O.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]pent-4-ynal?
The InChIKey is LWFZPWAJAGCRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OSi/c1-11(2,3)13(4,5)10-8-6-7-9-12/h9H,6-7H2,1-5H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]pent-4-ynal?
5-[tert-butyl(dimethyl)silyl]pent-4-ynal has a molecular weight of 196.37 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]pent-4-ynal is sourced from PubChem (CID 10932387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).