4-tri(propan-2-yl)silyloxybut-2-ynal

C13H24O2Si — CID 15525577

IUPAC4-tri(propan-2-yl)silyloxybut-2-ynal
SMILESCC(C)[Si](OCC#CC=O)(C(C)C)C(C)C
InChIInChI=1S/C13H24O2Si/c1-11(2)16(12(3)4,13(5)6)15-10-8-7-9-14/h9,11-13H,10H2,1-6H3
InChIKeyVDDARKUIIXAQAJ-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.38
Rot. Bonds5

About 4-tri(propan-2-yl)silyloxybut-2-ynal

4-tri(propan-2-yl)silyloxybut-2-ynal (PubChem CID 15525577) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is 4-tri(propan-2-yl)silyloxybut-2-ynal.

Molecular Properties

Compound Name4-tri(propan-2-yl)silyloxybut-2-ynal
PubChem CID15525577
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name4-tri(propan-2-yl)silyloxybut-2-ynal
SMILESCC(C)[Si](OCC#CC=O)(C(C)C)C(C)C
InChIInChI=1S/C13H24O2Si/c1-11(2)16(12(3)4,13(5)6)15-10-8-7-9-14/h9,11-13H,10H2,1-6H3
InChIKeyVDDARKUIIXAQAJ-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.38
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-Trimethylsilylpropynal
CID 2760865
3-(Triisopropylsilyl)propiolaldehyde
CID 11095897
4-[(Tert-butyldimethylsilyl)oxy]but-2-ynal
CID 11745632
5-((Tert-butyldimethylsilyl)oxy)pent-2-ynal
CID 14591859
4-((Tert-butyldimethylsilyl)oxy)-4-methylpent-2-ynal
CID 10889620
3-tert-Butyldimethylsilylpropynal
CID 2757282
3-Triethylsilylpropynal
CID 2760696
Acetaldehyde, [[tris(1-methylethyl)silyl]oxy]-
CID 10353280
2-Hexynal, 6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10987965
7-[Tert-butyl(dimethyl)silyl]oxyhept-2-ynal
CID 11770577
2-(Tripropylsilyl)acetaldehyde
CID 13431041
2-[Butyl(dimethyl)silyl]oxyacetaldehyde
CID 3771863

Frequently Asked Questions

What is the IUPAC name of 4-tri(propan-2-yl)silyloxybut-2-ynal?
The IUPAC name of 4-tri(propan-2-yl)silyloxybut-2-ynal (CID 15525577) is 4-tri(propan-2-yl)silyloxybut-2-ynal.
What is the SMILES notation for 4-tri(propan-2-yl)silyloxybut-2-ynal?
The canonical SMILES for 4-tri(propan-2-yl)silyloxybut-2-ynal is CC(C)[Si](OCC#CC=O)(C(C)C)C(C)C.
What is the InChIKey of 4-tri(propan-2-yl)silyloxybut-2-ynal?
The InChIKey is VDDARKUIIXAQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-11(2)16(12(3)4,13(5)6)15-10-8-7-9-14/h9,11-13H,10H2,1-6H3.
What are the key properties of 4-tri(propan-2-yl)silyloxybut-2-ynal?
4-tri(propan-2-yl)silyloxybut-2-ynal has a molecular weight of 240.42 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tri(propan-2-yl)silyloxybut-2-ynal is sourced from PubChem (CID 15525577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).