[buta-1,3-dienyl(dimethyl)silyl]formaldehyde

C7H12OSi — CID 54187475

IUPAC[buta-1,3-dienyl(dimethyl)silyl]formaldehyde
SMILESC=CC=C[Si](C)(C)C=O
InChIInChI=1S/C7H12OSi/c1-4-5-6-9(2,3)7-8/h4-7H,1H2,2-3H3
InChIKeyPGBWSGLSOWEEOB-UHFFFAOYSA-N
MW140.26 g/mol
LogP1.75
Rot. Bonds3

About [buta-1,3-dienyl(dimethyl)silyl]formaldehyde

[buta-1,3-dienyl(dimethyl)silyl]formaldehyde (PubChem CID 54187475) has the molecular formula C7H12OSi and a molecular weight of 140.26 g/mol. Its IUPAC name is [buta-1,3-dienyl(dimethyl)silyl]formaldehyde.

Molecular Properties

Compound Name[buta-1,3-dienyl(dimethyl)silyl]formaldehyde
PubChem CID54187475
Molecular FormulaC7H12OSi
Molecular Weight140.26 g/mol
Exact Mass140.07
IUPAC Name[buta-1,3-dienyl(dimethyl)silyl]formaldehyde
SMILESC=CC=C[Si](C)(C)C=O
InChIInChI=1S/C7H12OSi/c1-4-5-6-9(2,3)7-8/h4-7H,1H2,2-3H3
InChIKeyPGBWSGLSOWEEOB-UHFFFAOYSA-N
XLogP1.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.26
LogP ≤ 51.75
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [buta-1,3-dienyl(dimethyl)silyl]formaldehyde?
The IUPAC name of [buta-1,3-dienyl(dimethyl)silyl]formaldehyde (CID 54187475) is [buta-1,3-dienyl(dimethyl)silyl]formaldehyde.
What is the SMILES notation for [buta-1,3-dienyl(dimethyl)silyl]formaldehyde?
The canonical SMILES for [buta-1,3-dienyl(dimethyl)silyl]formaldehyde is C=CC=C[Si](C)(C)C=O.
What is the InChIKey of [buta-1,3-dienyl(dimethyl)silyl]formaldehyde?
The InChIKey is PGBWSGLSOWEEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OSi/c1-4-5-6-9(2,3)7-8/h4-7H,1H2,2-3H3.
What are the key properties of [buta-1,3-dienyl(dimethyl)silyl]formaldehyde?
[buta-1,3-dienyl(dimethyl)silyl]formaldehyde has a molecular weight of 140.26 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [buta-1,3-dienyl(dimethyl)silyl]formaldehyde is sourced from PubChem (CID 54187475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).