8-trimethylsilyloct-6-ynal

C11H20OSi — CID 10512108

IUPAC8-trimethylsilyloct-6-ynal
SMILESC[Si](C)(C)CC#CCCCCC=O
InChIInChI=1S/C11H20OSi/c1-13(2,3)11-9-7-5-4-6-8-10-12/h10H,4-6,8,11H2,1-3H3
InChIKeyFHRPBFJWZMDUJC-UHFFFAOYSA-N
MW196.37 g/mol
LogP3.09
Rot. Bonds5

About 8-trimethylsilyloct-6-ynal

8-trimethylsilyloct-6-ynal (PubChem CID 10512108) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is 8-trimethylsilyloct-6-ynal.

Molecular Properties

Compound Name8-trimethylsilyloct-6-ynal
PubChem CID10512108
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name8-trimethylsilyloct-6-ynal
SMILESC[Si](C)(C)CC#CCCCCC=O
InChIInChI=1S/C11H20OSi/c1-13(2,3)11-9-7-5-4-6-8-10-12/h10H,4-6,8,11H2,1-3H3
InChIKeyFHRPBFJWZMDUJC-UHFFFAOYSA-N
XLogP3.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 53.09
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-Trimethylsilylpentanal
CID 12824378
4-Pentynal, 5-(trimethylsilyl)-
CID 10888132
5-(Triisopropylsilyl)pent-4-ynal
CID 42636688
5-Hexynal, 6-(trimethylsilyl)-
CID 11116456
2-Trimethylsilylheptanal
CID 10867073
5-[Tert-butyl(dimethyl)silyl]pent-4-ynal
CID 10932387
(4R)-4-methyl-7-trimethylsilylhept-6-ynal
CID 11446914
2,2-Dimethyl-7-trimethylsilylhept-6-ynal
CID 15701258
2-Trimethylsilylhexanal
CID 135049435
7-Triethylsilylhepta-4,6-diynal
CID 135086220
7-[Tert-butyl(dimethyl)silyl]hept-6-ynal
CID 162417595
(3R)-3-trimethylsilylpentanal
CID 642567

Frequently Asked Questions

What is the IUPAC name of 8-trimethylsilyloct-6-ynal?
The IUPAC name of 8-trimethylsilyloct-6-ynal (CID 10512108) is 8-trimethylsilyloct-6-ynal.
What is the SMILES notation for 8-trimethylsilyloct-6-ynal?
The canonical SMILES for 8-trimethylsilyloct-6-ynal is C[Si](C)(C)CC#CCCCCC=O.
What is the InChIKey of 8-trimethylsilyloct-6-ynal?
The InChIKey is FHRPBFJWZMDUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OSi/c1-13(2,3)11-9-7-5-4-6-8-10-12/h10H,4-6,8,11H2,1-3H3.
What are the key properties of 8-trimethylsilyloct-6-ynal?
8-trimethylsilyloct-6-ynal has a molecular weight of 196.37 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-trimethylsilyloct-6-ynal is sourced from PubChem (CID 10512108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).