bis(triphenylstannyl) 2-methylidenebutanedioate

C41H34O4Sn2 — CID 70462547

IUPACbis(triphenylstannyl) 2-methylidenebutanedioate
SMILESC=C(CC(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/6C6H5.C5H6O4.2Sn/c6*1-2-4-6-5-3-1;1-3(5(8)9)2-4(6)7;;/h6*1-5H;1-2H2,(H,6,7)(H,8,9);;/q;;;;;;;2*+1/p-2
InChIKeyOEDLEYULNQMOLI-UHFFFAOYSA-L
MW828.14 g/mol
LogP4.35
Rot. Bonds11

About bis(triphenylstannyl) 2-methylidenebutanedioate

bis(triphenylstannyl) 2-methylidenebutanedioate (PubChem CID 70462547) has the molecular formula C41H34O4Sn2 and a molecular weight of 828.14 g/mol. Its IUPAC name is bis(triphenylstannyl) 2-methylidenebutanedioate.

Molecular Properties

Compound Namebis(triphenylstannyl) 2-methylidenebutanedioate
PubChem CID70462547
Molecular FormulaC41H34O4Sn2
Molecular Weight828.14 g/mol
Exact Mass830.05
IUPAC Namebis(triphenylstannyl) 2-methylidenebutanedioate
SMILESC=C(CC(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/6C6H5.C5H6O4.2Sn/c6*1-2-4-6-5-3-1;1-3(5(8)9)2-4(6)7;;/h6*1-5H;1-2H2,(H,6,7)(H,8,9);;/q;;;;;;;2*+1/p-2
InChIKeyOEDLEYULNQMOLI-UHFFFAOYSA-L
XLogP4.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500828.14
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(triphenylstannyl) 2-methylidenebutanedioate?
The IUPAC name of bis(triphenylstannyl) 2-methylidenebutanedioate (CID 70462547) is bis(triphenylstannyl) 2-methylidenebutanedioate.
What is the SMILES notation for bis(triphenylstannyl) 2-methylidenebutanedioate?
The canonical SMILES for bis(triphenylstannyl) 2-methylidenebutanedioate is C=C(CC(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis(triphenylstannyl) 2-methylidenebutanedioate?
The InChIKey is OEDLEYULNQMOLI-UHFFFAOYSA-L. The full InChI is InChI=1S/6C6H5.C5H6O4.2Sn/c6*1-2-4-6-5-3-1;1-3(5(8)9)2-4(6)7;;/h6*1-5H;1-2H2,(H,6,7)(H,8,9);;/q;;;;;;;2*+1/p-2.
What are the key properties of bis(triphenylstannyl) 2-methylidenebutanedioate?
bis(triphenylstannyl) 2-methylidenebutanedioate has a molecular weight of 828.14 g/mol, XLogP of 4.35, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(triphenylstannyl) 2-methylidenebutanedioate is sourced from PubChem (CID 70462547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).