3-methyl-4-trimethylsilylbutanal

C8H18OSi — CID 10702085

IUPAC3-methyl-4-trimethylsilylbutanal
SMILESCC(CC=O)C[Si](C)(C)C
InChIInChI=1S/C8H18OSi/c1-8(5-6-9)7-10(2,3)4/h6,8H,5,7H2,1-4H3
InChIKeyLQMKLCWQZZBHDT-UHFFFAOYSA-N
MW158.32 g/mol
LogP2.55
Rot. Bonds4

About 3-methyl-4-trimethylsilylbutanal

3-methyl-4-trimethylsilylbutanal (PubChem CID 10702085) has the molecular formula C8H18OSi and a molecular weight of 158.32 g/mol. Its IUPAC name is 3-methyl-4-trimethylsilylbutanal.

Molecular Properties

Compound Name3-methyl-4-trimethylsilylbutanal
PubChem CID10702085
Molecular FormulaC8H18OSi
Molecular Weight158.32 g/mol
Exact Mass158.11
IUPAC Name3-methyl-4-trimethylsilylbutanal
SMILESCC(CC=O)C[Si](C)(C)C
InChIInChI=1S/C8H18OSi/c1-8(5-6-9)7-10(2,3)4/h6,8H,5,7H2,1-4H3
InChIKeyLQMKLCWQZZBHDT-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-trimethylsilylbutanal?
The IUPAC name of 3-methyl-4-trimethylsilylbutanal (CID 10702085) is 3-methyl-4-trimethylsilylbutanal.
What is the SMILES notation for 3-methyl-4-trimethylsilylbutanal?
The canonical SMILES for 3-methyl-4-trimethylsilylbutanal is CC(CC=O)C[Si](C)(C)C.
What is the InChIKey of 3-methyl-4-trimethylsilylbutanal?
The InChIKey is LQMKLCWQZZBHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OSi/c1-8(5-6-9)7-10(2,3)4/h6,8H,5,7H2,1-4H3.
What are the key properties of 3-methyl-4-trimethylsilylbutanal?
3-methyl-4-trimethylsilylbutanal has a molecular weight of 158.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-trimethylsilylbutanal is sourced from PubChem (CID 10702085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).