(E)-3-triethylstannylprop-2-enal

C9H18OSn — CID 177415887

IUPAC(E)-3-triethylstannylprop-2-enal
SMILESCC[Sn](/C=C/C=O)(CC)CC
InChIInChI=1S/C3H3O.3C2H5.Sn/c1-2-3-4;3*1-2;/h1-3H;3*1H2,2H3;
InChIKeyVRYIPJQIGSEEJW-UHFFFAOYSA-N
MW260.95 g/mol
LogP2.79
Rot. Bonds5

About (E)-3-triethylstannylprop-2-enal

(E)-3-triethylstannylprop-2-enal (PubChem CID 177415887) has the molecular formula C9H18OSn and a molecular weight of 260.95 g/mol. Its IUPAC name is (E)-3-triethylstannylprop-2-enal.

Molecular Properties

Compound Name(E)-3-triethylstannylprop-2-enal
PubChem CID177415887
Molecular FormulaC9H18OSn
Molecular Weight260.95 g/mol
Exact Mass262.04
IUPAC Name(E)-3-triethylstannylprop-2-enal
SMILESCC[Sn](/C=C/C=O)(CC)CC
InChIInChI=1S/C3H3O.3C2H5.Sn/c1-2-3-4;3*1-2;/h1-3H;3*1H2,2H3;
InChIKeyVRYIPJQIGSEEJW-UHFFFAOYSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.95
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-triethylstannylprop-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-triethylstannylprop-2-enal?
The IUPAC name of (E)-3-triethylstannylprop-2-enal (CID 177415887) is (E)-3-triethylstannylprop-2-enal.
What is the SMILES notation for (E)-3-triethylstannylprop-2-enal?
The canonical SMILES for (E)-3-triethylstannylprop-2-enal is CC[Sn](/C=C/C=O)(CC)CC.
What is the InChIKey of (E)-3-triethylstannylprop-2-enal?
The InChIKey is VRYIPJQIGSEEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3O.3C2H5.Sn/c1-2-3-4;3*1-2;/h1-3H;3*1H2,2H3;.
What are the key properties of (E)-3-triethylstannylprop-2-enal?
(E)-3-triethylstannylprop-2-enal has a molecular weight of 260.95 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-triethylstannylprop-2-enal is sourced from PubChem (CID 177415887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).