2-trimethylsilylhexanal

C9H20OSi — CID 135049435

IUPAC2-trimethylsilylhexanal
SMILESCCCCC(C=O)[Si](C)(C)C
InChIInChI=1S/C9H20OSi/c1-5-6-7-9(8-10)11(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyLQGDARGVRATNRF-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.08
Rot. Bonds5

About 2-trimethylsilylhexanal

2-trimethylsilylhexanal (PubChem CID 135049435) has the molecular formula C9H20OSi and a molecular weight of 172.34 g/mol. Its IUPAC name is 2-trimethylsilylhexanal.

Molecular Properties

Compound Name2-trimethylsilylhexanal
PubChem CID135049435
Molecular FormulaC9H20OSi
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name2-trimethylsilylhexanal
SMILESCCCCC(C=O)[Si](C)(C)C
InChIInChI=1S/C9H20OSi/c1-5-6-7-9(8-10)11(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyLQGDARGVRATNRF-UHFFFAOYSA-N
XLogP3.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Silane, trimethyl(1-oxohexyl)-
CID 163012
1-(Trimethylsilyl)-1,5-pentanedione
CID 10725875
3-Trimethylsilylpentanal
CID 12824378
2-(Trimethylsilylmethyl)hexanal
CID 14527625
Triethylsilylbutanal
CID 20405688
5-Hexynal, 6-(trimethylsilyl)-
CID 11116456
8-Trimethylsilyloct-6-ynal
CID 10512108
2-Trimethylsilylheptanal
CID 10867073
2-[Tert-butyl(dimethyl)silyl]octanal
CID 11831616
2-[[Tert-butyl(dimethyl)silyl]methyl]hexanal
CID 14527626
2-[Tert-butyl(dimethyl)silyl]heptanal
CID 14527632
2-[Tert-butyl(dimethyl)silyl]-1-deuteriooctan-1-one
CID 101708371

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylhexanal?
The IUPAC name of 2-trimethylsilylhexanal (CID 135049435) is 2-trimethylsilylhexanal.
What is the SMILES notation for 2-trimethylsilylhexanal?
The canonical SMILES for 2-trimethylsilylhexanal is CCCCC(C=O)[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylhexanal?
The InChIKey is LQGDARGVRATNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OSi/c1-5-6-7-9(8-10)11(2,3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-trimethylsilylhexanal?
2-trimethylsilylhexanal has a molecular weight of 172.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylhexanal is sourced from PubChem (CID 135049435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).