[5-formyl-2,3-dimethoxy-6-(methyl-λ2-stannanyl)phenyl]-methyltin

C11H14O3Sn2 — CID 174370211

IUPAC[5-formyl-2,3-dimethoxy-6-(methyl-λ2-stannanyl)phenyl]-methyltin
SMILESCOc1cc(C=O)c([Sn]C)c([Sn]C)c1OC
InChIInChI=1S/C9H8O3.2CH3.2Sn/c1-11-8-4-3-7(6-10)5-9(8)12-2;;;;/h5-6H,1-2H3;2*1H3;;
InChIKeyAKWSJIUSHQMWKW-UHFFFAOYSA-N
MW431.65 g/mol
LogP0.27
Rot. Bonds5

About [5-formyl-2,3-dimethoxy-6-(methyl-λ2-stannanyl)phenyl]-methyltin

[5-formyl-2,3-dimethoxy-6-(methyl-λ2-stannanyl)phenyl]-methyltin (PubChem CID 174370211) has the molecular formula C11H14O3Sn2 and a molecular weight of 431.65 g/mol. Its IUPAC name is [5-formyl-2,3-dimethoxy-6-(methyl-λ2-stannanyl)phenyl]-methyltin.

Molecular Properties

Compound Name[5-formyl-2,3-dimethoxy-6-(methyl-λ2-stannanyl)phenyl]-methyltin
PubChem CID174370211
Molecular FormulaC11H14O3Sn2
Molecular Weight431.65 g/mol
Exact Mass433.90
IUPAC Name[5-formyl-2,3-dimethoxy-6-(methyl-λ2-stannanyl)phenyl]-methyltin
SMILESCOc1cc(C=O)c([Sn]C)c([Sn]C)c1OC
InChIInChI=1S/C9H8O3.2CH3.2Sn/c1-11-8-4-3-7(6-10)5-9(8)12-2;;;;/h5-6H,1-2H3;2*1H3;;
InChIKeyAKWSJIUSHQMWKW-UHFFFAOYSA-N
XLogP0.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.65
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-2,4,5-trimethoxybenzaldehyde
CID 117275489
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
1,4,9,10-tetramethoxyanthracene-2-carbaldehyde
CID 15089323
3,4,5-trimethoxy-2-nitrobenzaldehyde
CID 18697918
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
2-bromo-3,4,5-trimethoxybenzaldehyde;1,1-dimethoxyethane
CID 88526505
5-(1-aminoethyl)-2,3-dimethoxybenzaldehyde
CID 117298695
2-amino-4,5-dimethoxybenzaldehyde
CID 10888543
(3-bromo-4-formyl-2,6-dimethoxyphenyl) acetate
CID 22633147
N-(5-formyl-2,3-dimethoxy-6-methylphenyl)acetamide
CID 84798477
2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde
CID 82039032
5-bromo-2-ethoxy-3-methoxybenzaldehyde
CID 20994235

Frequently Asked Questions

What is the IUPAC name of [5-formyl-2,3-dimethoxy-6-(methyl-λ2-stannanyl)phenyl]-methyltin?
The IUPAC name of [5-formyl-2,3-dimethoxy-6-(methyl-λ2-stannanyl)phenyl]-methyltin (CID 174370211) is [5-formyl-2,3-dimethoxy-6-(methyl-λ2-stannanyl)phenyl]-methyltin.
What is the SMILES notation for [5-formyl-2,3-dimethoxy-6-(methyl-λ2-stannanyl)phenyl]-methyltin?
The canonical SMILES for [5-formyl-2,3-dimethoxy-6-(methyl-λ2-stannanyl)phenyl]-methyltin is COc1cc(C=O)c([Sn]C)c([Sn]C)c1OC.
What is the InChIKey of [5-formyl-2,3-dimethoxy-6-(methyl-λ2-stannanyl)phenyl]-methyltin?
The InChIKey is AKWSJIUSHQMWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3.2CH3.2Sn/c1-11-8-4-3-7(6-10)5-9(8)12-2;;;;/h5-6H,1-2H3;2*1H3;;.
What are the key properties of [5-formyl-2,3-dimethoxy-6-(methyl-λ2-stannanyl)phenyl]-methyltin?
[5-formyl-2,3-dimethoxy-6-(methyl-λ2-stannanyl)phenyl]-methyltin has a molecular weight of 431.65 g/mol, XLogP of 0.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-formyl-2,3-dimethoxy-6-(methyl-λ2-stannanyl)phenyl]-methyltin is sourced from PubChem (CID 174370211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).