5-tri(propan-2-yl)silylpent-4-ynal

C14H26OSi — CID 42636688

IUPAC5-tri(propan-2-yl)silylpent-4-ynal
SMILESCC(C)[Si](C#CCCC=O)(C(C)C)C(C)C
InChIInChI=1S/C14H26OSi/c1-12(2)16(13(3)4,14(5)6)11-9-7-8-10-15/h10,12-14H,7-8H2,1-6H3
InChIKeyOCLBQCJJWLPIDA-UHFFFAOYSA-N
MW238.45 g/mol
LogP4.19
Rot. Bonds5

About 5-tri(propan-2-yl)silylpent-4-ynal

5-tri(propan-2-yl)silylpent-4-ynal (PubChem CID 42636688) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is 5-tri(propan-2-yl)silylpent-4-ynal.

Molecular Properties

Compound Name5-tri(propan-2-yl)silylpent-4-ynal
PubChem CID42636688
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Name5-tri(propan-2-yl)silylpent-4-ynal
SMILESCC(C)[Si](C#CCCC=O)(C(C)C)C(C)C
InChIInChI=1S/C14H26OSi/c1-12(2)16(13(3)4,14(5)6)11-9-7-8-10-15/h10,12-14H,7-8H2,1-6H3
InChIKeyOCLBQCJJWLPIDA-UHFFFAOYSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 54.19
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
3-(Trimethylsilyl)butanal
CID 14617524
3-tert-Butyldimethylsilylpropynal
CID 2757282
3-Triethylsilylpropynal
CID 2760696
2-(Triethylsilyl)propionaldehyde
CID 10855969
4-Pentynal, 5-(trimethylsilyl)-
CID 10888132
3-Triethylsilylpropanal
CID 11769032
Triethylsilylbutanal
CID 20405688
4-(Trimethylsilyl)butanal
CID 23161281
(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-tri(propan-2-yl)silylpent-4-ynal?
The IUPAC name of 5-tri(propan-2-yl)silylpent-4-ynal (CID 42636688) is 5-tri(propan-2-yl)silylpent-4-ynal.
What is the SMILES notation for 5-tri(propan-2-yl)silylpent-4-ynal?
The canonical SMILES for 5-tri(propan-2-yl)silylpent-4-ynal is CC(C)[Si](C#CCCC=O)(C(C)C)C(C)C.
What is the InChIKey of 5-tri(propan-2-yl)silylpent-4-ynal?
The InChIKey is OCLBQCJJWLPIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OSi/c1-12(2)16(13(3)4,14(5)6)11-9-7-8-10-15/h10,12-14H,7-8H2,1-6H3.
What are the key properties of 5-tri(propan-2-yl)silylpent-4-ynal?
5-tri(propan-2-yl)silylpent-4-ynal has a molecular weight of 238.45 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tri(propan-2-yl)silylpent-4-ynal is sourced from PubChem (CID 42636688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).