but-1-ene;3-[diethoxy(methyl)silyl]propanal

C12H26O3Si — CID 157111752

IUPACbut-1-ene;3-[diethoxy(methyl)silyl]propanal
SMILESC=CCC.CCO[Si](C)(CCC=O)OCC
InChIInChI=1S/C8H18O3Si.C4H8/c1-4-10-12(3,11-5-2)8-6-7-9;1-3-4-2/h7H,4-6,8H2,1-3H3;3H,1,4H2,2H3
InChIKeyAGXYNCKVASJDAC-UHFFFAOYSA-N
MW246.42 g/mol
LogP3.30
Rot. Bonds8

About but-1-ene;3-[diethoxy(methyl)silyl]propanal

but-1-ene;3-[diethoxy(methyl)silyl]propanal (PubChem CID 157111752) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is but-1-ene;3-[diethoxy(methyl)silyl]propanal.

Molecular Properties

Compound Namebut-1-ene;3-[diethoxy(methyl)silyl]propanal
PubChem CID157111752
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Namebut-1-ene;3-[diethoxy(methyl)silyl]propanal
SMILESC=CCC.CCO[Si](C)(CCC=O)OCC
InChIInChI=1S/C8H18O3Si.C4H8/c1-4-10-12(3,11-5-2)8-6-7-9;1-3-4-2/h7H,4-6,8H2,1-3H3;3H,1,4H2,2H3
InChIKeyAGXYNCKVASJDAC-UHFFFAOYSA-N
XLogP3.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-1-ene;3-[diethoxy(methyl)silyl]propanal?
The IUPAC name of but-1-ene;3-[diethoxy(methyl)silyl]propanal (CID 157111752) is but-1-ene;3-[diethoxy(methyl)silyl]propanal.
What is the SMILES notation for but-1-ene;3-[diethoxy(methyl)silyl]propanal?
The canonical SMILES for but-1-ene;3-[diethoxy(methyl)silyl]propanal is C=CCC.CCO[Si](C)(CCC=O)OCC.
What is the InChIKey of but-1-ene;3-[diethoxy(methyl)silyl]propanal?
The InChIKey is AGXYNCKVASJDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3Si.C4H8/c1-4-10-12(3,11-5-2)8-6-7-9;1-3-4-2/h7H,4-6,8H2,1-3H3;3H,1,4H2,2H3.
What are the key properties of but-1-ene;3-[diethoxy(methyl)silyl]propanal?
but-1-ene;3-[diethoxy(methyl)silyl]propanal has a molecular weight of 246.42 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;3-[diethoxy(methyl)silyl]propanal is sourced from PubChem (CID 157111752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).