7-[tert-butyl(dimethyl)silyl]hept-6-ynal

C13H24OSi — CID 162417595

IUPAC7-[tert-butyl(dimethyl)silyl]hept-6-ynal
SMILESCC(C)(C)[Si](C)(C)C#CCCCCC=O
InChIInChI=1S/C13H24OSi/c1-13(2,3)15(4,5)12-10-8-6-7-9-11-14/h11H,6-9H2,1-5H3
InChIKeyYLVIWLYVQCSGMV-UHFFFAOYSA-N
MW224.42 g/mol
LogP3.80
Rot. Bonds4

About 7-[tert-butyl(dimethyl)silyl]hept-6-ynal

7-[tert-butyl(dimethyl)silyl]hept-6-ynal (PubChem CID 162417595) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]hept-6-ynal.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]hept-6-ynal
PubChem CID162417595
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name7-[tert-butyl(dimethyl)silyl]hept-6-ynal
SMILESCC(C)(C)[Si](C)(C)C#CCCCCC=O
InChIInChI=1S/C13H24OSi/c1-13(2,3)15(4,5)12-10-8-6-7-9-11-14/h11H,6-9H2,1-5H3
InChIKeyYLVIWLYVQCSGMV-UHFFFAOYSA-N
XLogP3.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.80
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

5-(Triisopropylsilyl)pent-4-ynal
CID 42636688
5-Hexynal, 6-(trimethylsilyl)-
CID 11116456
8-Trimethylsilyloct-6-ynal
CID 10512108
5-[Tert-butyl(dimethyl)silyl]pent-4-ynal
CID 10932387
(4R)-4-methyl-7-trimethylsilylhept-6-ynal
CID 11446914
(3S)-3-methyl-6-trimethylsilylhex-5-ynal
CID 11513871
2-[Tert-butyl(dimethyl)silyl]heptanal
CID 14527632
2,2-Dimethyl-7-trimethylsilylhept-6-ynal
CID 15701258
2-Trimethylsilylhexanal
CID 135049435
7-Triethylsilylhepta-4,6-diynal
CID 135086220
6-Oxo-6-trimethylsilylhexanal
CID 10679132
7-(Trimethylsilyl)hept-6-ynal
CID 14809950

Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(dimethyl)silyl]hept-6-ynal?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]hept-6-ynal (CID 162417595) is 7-[tert-butyl(dimethyl)silyl]hept-6-ynal.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]hept-6-ynal?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]hept-6-ynal is CC(C)(C)[Si](C)(C)C#CCCCCC=O.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]hept-6-ynal?
The InChIKey is YLVIWLYVQCSGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OSi/c1-13(2,3)15(4,5)12-10-8-6-7-9-11-14/h11H,6-9H2,1-5H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]hept-6-ynal?
7-[tert-butyl(dimethyl)silyl]hept-6-ynal has a molecular weight of 224.42 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]hept-6-ynal is sourced from PubChem (CID 162417595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).