2-ethoxy-2-methyl-4-silylbut-3-enal

C7H14O2Si — CID 123219697

IUPAC2-ethoxy-2-methyl-4-silylbut-3-enal
SMILESCCOC(C)(C=O)C=C[SiH3]
InChIInChI=1S/C7H14O2Si/c1-3-9-7(2,6-8)4-5-10/h4-6H,3H2,1-2,10H3
InChIKeyFZBMMAHWKLBBRP-UHFFFAOYSA-N
MW158.27 g/mol
LogP-0.14
Rot. Bonds4

About 2-ethoxy-2-methyl-4-silylbut-3-enal

2-ethoxy-2-methyl-4-silylbut-3-enal (PubChem CID 123219697) has the molecular formula C7H14O2Si and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-4-silylbut-3-enal.

Molecular Properties

Compound Name2-ethoxy-2-methyl-4-silylbut-3-enal
PubChem CID123219697
Molecular FormulaC7H14O2Si
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name2-ethoxy-2-methyl-4-silylbut-3-enal
SMILESCCOC(C)(C=O)C=C[SiH3]
InChIInChI=1S/C7H14O2Si/c1-3-9-7(2,6-8)4-5-10/h4-6H,3H2,1-2,10H3
InChIKeyFZBMMAHWKLBBRP-UHFFFAOYSA-N
XLogP-0.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethoxy-2-methyl-4-silylbut-3-enal?
The IUPAC name of 2-ethoxy-2-methyl-4-silylbut-3-enal (CID 123219697) is 2-ethoxy-2-methyl-4-silylbut-3-enal.
What is the SMILES notation for 2-ethoxy-2-methyl-4-silylbut-3-enal?
The canonical SMILES for 2-ethoxy-2-methyl-4-silylbut-3-enal is CCOC(C)(C=O)C=C[SiH3].
What is the InChIKey of 2-ethoxy-2-methyl-4-silylbut-3-enal?
The InChIKey is FZBMMAHWKLBBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2Si/c1-3-9-7(2,6-8)4-5-10/h4-6H,3H2,1-2,10H3.
What are the key properties of 2-ethoxy-2-methyl-4-silylbut-3-enal?
2-ethoxy-2-methyl-4-silylbut-3-enal has a molecular weight of 158.27 g/mol, XLogP of -0.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-4-silylbut-3-enal is sourced from PubChem (CID 123219697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).