2-ethyl-2-trimethylsilylbutanal

C9H20OSi — CID 87950595

IUPAC2-ethyl-2-trimethylsilylbutanal
SMILESCCC(C=O)(CC)[Si](C)(C)C
InChIInChI=1S/C9H20OSi/c1-6-9(7-2,8-10)11(3,4)5/h8H,6-7H2,1-5H3
InChIKeyUZMAJAHNUXKAGJ-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.08
Rot. Bonds4

About 2-ethyl-2-trimethylsilylbutanal

2-ethyl-2-trimethylsilylbutanal (PubChem CID 87950595) has the molecular formula C9H20OSi and a molecular weight of 172.34 g/mol. Its IUPAC name is 2-ethyl-2-trimethylsilylbutanal.

Molecular Properties

Compound Name2-ethyl-2-trimethylsilylbutanal
PubChem CID87950595
Molecular FormulaC9H20OSi
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name2-ethyl-2-trimethylsilylbutanal
SMILESCCC(C=O)(CC)[Si](C)(C)C
InChIInChI=1S/C9H20OSi/c1-6-9(7-2,8-10)11(3,4)5/h8H,6-7H2,1-5H3
InChIKeyUZMAJAHNUXKAGJ-UHFFFAOYSA-N
XLogP3.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-trimethylsilylbutanal?
The IUPAC name of 2-ethyl-2-trimethylsilylbutanal (CID 87950595) is 2-ethyl-2-trimethylsilylbutanal.
What is the SMILES notation for 2-ethyl-2-trimethylsilylbutanal?
The canonical SMILES for 2-ethyl-2-trimethylsilylbutanal is CCC(C=O)(CC)[Si](C)(C)C.
What is the InChIKey of 2-ethyl-2-trimethylsilylbutanal?
The InChIKey is UZMAJAHNUXKAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OSi/c1-6-9(7-2,8-10)11(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of 2-ethyl-2-trimethylsilylbutanal?
2-ethyl-2-trimethylsilylbutanal has a molecular weight of 172.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-trimethylsilylbutanal is sourced from PubChem (CID 87950595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).