7-triethylsilylhepta-4,6-diynal

C13H20OSi — CID 135086220

IUPAC7-triethylsilylhepta-4,6-diynal
SMILESCC[Si](C#CC#CCCC=O)(CC)CC
InChIInChI=1S/C13H20OSi/c1-4-15(5-2,6-3)13-11-9-7-8-10-12-14/h12H,4-6,8,10H2,1-3H3
InChIKeyHTTPMVPPJZEAJR-UHFFFAOYSA-N
MW220.39 g/mol
LogP3.02
Rot. Bonds5

About 7-triethylsilylhepta-4,6-diynal

7-triethylsilylhepta-4,6-diynal (PubChem CID 135086220) has the molecular formula C13H20OSi and a molecular weight of 220.39 g/mol. Its IUPAC name is 7-triethylsilylhepta-4,6-diynal.

Molecular Properties

Compound Name7-triethylsilylhepta-4,6-diynal
PubChem CID135086220
Molecular FormulaC13H20OSi
Molecular Weight220.39 g/mol
Exact Mass220.13
IUPAC Name7-triethylsilylhepta-4,6-diynal
SMILESCC[Si](C#CC#CCCC=O)(CC)CC
InChIInChI=1S/C13H20OSi/c1-4-15(5-2,6-3)13-11-9-7-8-10-12-14/h12H,4-6,8,10H2,1-3H3
InChIKeyHTTPMVPPJZEAJR-UHFFFAOYSA-N
XLogP3.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.39
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
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
5-(Triisopropylsilyl)pent-4-ynal
CID 42636688
(2R)-2-methyl-5-trimethylsilylpent-4-ynal
CID 59125851
4-(Trimethylsilyl)but-3-ynal
CID 71367313

Frequently Asked Questions

What is the IUPAC name of 7-triethylsilylhepta-4,6-diynal?
The IUPAC name of 7-triethylsilylhepta-4,6-diynal (CID 135086220) is 7-triethylsilylhepta-4,6-diynal.
What is the SMILES notation for 7-triethylsilylhepta-4,6-diynal?
The canonical SMILES for 7-triethylsilylhepta-4,6-diynal is CC[Si](C#CC#CCCC=O)(CC)CC.
What is the InChIKey of 7-triethylsilylhepta-4,6-diynal?
The InChIKey is HTTPMVPPJZEAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OSi/c1-4-15(5-2,6-3)13-11-9-7-8-10-12-14/h12H,4-6,8,10H2,1-3H3.
What are the key properties of 7-triethylsilylhepta-4,6-diynal?
7-triethylsilylhepta-4,6-diynal has a molecular weight of 220.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-triethylsilylhepta-4,6-diynal is sourced from PubChem (CID 135086220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).