3-trimethylsilylpentanal

C8H18OSi — CID 12824378

IUPAC3-trimethylsilylpentanal
SMILESCCC(CC=O)[Si](C)(C)C
InChIInChI=1S/C8H18OSi/c1-5-8(6-7-9)10(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyZHIPPNZQBBRCTB-UHFFFAOYSA-N
MW158.32 g/mol
LogP2.69
Rot. Bonds4

About 3-trimethylsilylpentanal

3-trimethylsilylpentanal (PubChem CID 12824378) has the molecular formula C8H18OSi and a molecular weight of 158.32 g/mol. Its IUPAC name is 3-trimethylsilylpentanal.

Molecular Properties

Compound Name3-trimethylsilylpentanal
PubChem CID12824378
Molecular FormulaC8H18OSi
Molecular Weight158.32 g/mol
Exact Mass158.11
IUPAC Name3-trimethylsilylpentanal
SMILESCCC(CC=O)[Si](C)(C)C
InChIInChI=1S/C8H18OSi/c1-5-8(6-7-9)10(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyZHIPPNZQBBRCTB-UHFFFAOYSA-N
XLogP2.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.32
LogP ≤ 52.69
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

3-(Trimethylsilyl)butanal
CID 14617524
1-(Trimethylsilyl)-1,5-pentanedione
CID 10725875
2-(Triethylsilyl)propionaldehyde
CID 10855969
5-((Triisopropylsilyl)oxy)pentanal
CID 10901318
3-Triethylsilylpropanal
CID 11769032
2-[Tert-butyl(dimethyl)silyl]propanal
CID 11789684
Triethylsilylbutanal
CID 20405688
4-(Trimethylsilyl)butanal
CID 23161281
2,2-Difluoro-4-trimethylsilylpentanal
CID 173958397
5-Hexynal, 6-(trimethylsilyl)-
CID 11116456
8-Trimethylsilyloct-6-ynal
CID 10512108
2-Trimethylsilylheptanal
CID 10867073

Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilylpentanal?
The IUPAC name of 3-trimethylsilylpentanal (CID 12824378) is 3-trimethylsilylpentanal.
What is the SMILES notation for 3-trimethylsilylpentanal?
The canonical SMILES for 3-trimethylsilylpentanal is CCC(CC=O)[Si](C)(C)C.
What is the InChIKey of 3-trimethylsilylpentanal?
The InChIKey is ZHIPPNZQBBRCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OSi/c1-5-8(6-7-9)10(2,3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-trimethylsilylpentanal?
3-trimethylsilylpentanal has a molecular weight of 158.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilylpentanal is sourced from PubChem (CID 12824378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).