3-trimethylsilylbutanal

C7H16OSi — CID 14617524

IUPAC3-trimethylsilylbutanal
SMILESCC(CC=O)[Si](C)(C)C
InChIInChI=1S/C7H16OSi/c1-7(5-6-8)9(2,3)4/h6-7H,5H2,1-4H3
InChIKeyZIKXZJFWJBJPBT-UHFFFAOYSA-N
MW144.29 g/mol
LogP2.30
Rot. Bonds3

About 3-trimethylsilylbutanal

3-trimethylsilylbutanal (PubChem CID 14617524) has the molecular formula C7H16OSi and a molecular weight of 144.29 g/mol. Its IUPAC name is 3-trimethylsilylbutanal.

Molecular Properties

Compound Name3-trimethylsilylbutanal
PubChem CID14617524
Molecular FormulaC7H16OSi
Molecular Weight144.29 g/mol
Exact Mass144.10
IUPAC Name3-trimethylsilylbutanal
SMILESCC(CC=O)[Si](C)(C)C
InChIInChI=1S/C7H16OSi/c1-7(5-6-8)9(2,3)4/h6-7H,5H2,1-4H3
InChIKeyZIKXZJFWJBJPBT-UHFFFAOYSA-N
XLogP2.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.29
LogP ≤ 52.30
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-trimethylsilylbutanal?
The IUPAC name of 3-trimethylsilylbutanal (CID 14617524) is 3-trimethylsilylbutanal.
What is the SMILES notation for 3-trimethylsilylbutanal?
The canonical SMILES for 3-trimethylsilylbutanal is CC(CC=O)[Si](C)(C)C.
What is the InChIKey of 3-trimethylsilylbutanal?
The InChIKey is ZIKXZJFWJBJPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OSi/c1-7(5-6-8)9(2,3)4/h6-7H,5H2,1-4H3.
What are the key properties of 3-trimethylsilylbutanal?
3-trimethylsilylbutanal has a molecular weight of 144.29 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilylbutanal is sourced from PubChem (CID 14617524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).