2-methoxy-3-trichlorostannylpropanal

C4H7Cl3O2Sn — CID 88695235

IUPAC2-methoxy-3-trichlorostannylpropanal
SMILESCOC(C=O)C[Sn](Cl)(Cl)Cl
InChIInChI=1S/C4H7O2.3ClH.Sn/c1-4(3-5)6-2;;;;/h3-4H,1H2,2H3;3*1H;/q;;;;+3/p-3
InChIKeyYKVMUUDTXAMBNV-UHFFFAOYSA-K
MW312.17 g/mol
LogP1.86
Rot. Bonds4

About 2-methoxy-3-trichlorostannylpropanal

2-methoxy-3-trichlorostannylpropanal (PubChem CID 88695235) has the molecular formula C4H7Cl3O2Sn and a molecular weight of 312.17 g/mol. Its IUPAC name is 2-methoxy-3-trichlorostannylpropanal.

Molecular Properties

Compound Name2-methoxy-3-trichlorostannylpropanal
PubChem CID88695235
Molecular FormulaC4H7Cl3O2Sn
Molecular Weight312.17 g/mol
Exact Mass311.85
IUPAC Name2-methoxy-3-trichlorostannylpropanal
SMILESCOC(C=O)C[Sn](Cl)(Cl)Cl
InChIInChI=1S/C4H7O2.3ClH.Sn/c1-4(3-5)6-2;;;;/h3-4H,1H2,2H3;3*1H;/q;;;;+3/p-3
InChIKeyYKVMUUDTXAMBNV-UHFFFAOYSA-K
XLogP1.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-trichlorostannylpropanal?
The IUPAC name of 2-methoxy-3-trichlorostannylpropanal (CID 88695235) is 2-methoxy-3-trichlorostannylpropanal.
What is the SMILES notation for 2-methoxy-3-trichlorostannylpropanal?
The canonical SMILES for 2-methoxy-3-trichlorostannylpropanal is COC(C=O)C[Sn](Cl)(Cl)Cl.
What is the InChIKey of 2-methoxy-3-trichlorostannylpropanal?
The InChIKey is YKVMUUDTXAMBNV-UHFFFAOYSA-K. The full InChI is InChI=1S/C4H7O2.3ClH.Sn/c1-4(3-5)6-2;;;;/h3-4H,1H2,2H3;3*1H;/q;;;;+3/p-3.
What are the key properties of 2-methoxy-3-trichlorostannylpropanal?
2-methoxy-3-trichlorostannylpropanal has a molecular weight of 312.17 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-trichlorostannylpropanal is sourced from PubChem (CID 88695235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).