2-stannylbenzaldehyde

C7H8OSn — CID 154487471

IUPAC2-stannylbenzaldehyde
SMILESO=Cc1ccccc1[SnH3]
InChIInChI=1S/C7H5O.Sn.3H/c8-6-7-4-2-1-3-5-7;;;;/h1-4,6H;;;;
InChIKeyJUZBAHJIXMSKSI-UHFFFAOYSA-N
MW226.85 g/mol
LogP-0.51
Rot. Bonds1

About 2-stannylbenzaldehyde

2-stannylbenzaldehyde (PubChem CID 154487471) has the molecular formula C7H8OSn and a molecular weight of 226.85 g/mol. Its IUPAC name is 2-stannylbenzaldehyde.

Molecular Properties

Compound Name2-stannylbenzaldehyde
PubChem CID154487471
Molecular FormulaC7H8OSn
Molecular Weight226.85 g/mol
Exact Mass227.96
IUPAC Name2-stannylbenzaldehyde
SMILESO=Cc1ccccc1[SnH3]
InChIInChI=1S/C7H5O.Sn.3H/c8-6-7-4-2-1-3-5-7;;;;/h1-4,6H;;;;
InChIKeyJUZBAHJIXMSKSI-UHFFFAOYSA-N
XLogP-0.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.85
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-stannylbenzaldehyde 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 2-stannylbenzaldehyde?
The IUPAC name of 2-stannylbenzaldehyde (CID 154487471) is 2-stannylbenzaldehyde.
What is the SMILES notation for 2-stannylbenzaldehyde?
The canonical SMILES for 2-stannylbenzaldehyde is O=Cc1ccccc1[SnH3].
What is the InChIKey of 2-stannylbenzaldehyde?
The InChIKey is JUZBAHJIXMSKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5O.Sn.3H/c8-6-7-4-2-1-3-5-7;;;;/h1-4,6H;;;;.
What are the key properties of 2-stannylbenzaldehyde?
2-stannylbenzaldehyde has a molecular weight of 226.85 g/mol, XLogP of -0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-stannylbenzaldehyde is sourced from PubChem (CID 154487471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).