(Z)-but-2-enedioate;bis(triphenylstannanylium)

C40H32O4Sn2 — CID 70463220

IUPAC(Z)-but-2-enedioate;bis(triphenylstannanylium)
SMILESO=C([O-])/C=C\C(=O)[O-].c1ccc([Sn+](c2ccccc2)c2ccccc2)cc1.c1ccc([Sn+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/6C6H5.C4H4O4.2Sn/c6*1-2-4-6-5-3-1;5-3(6)1-2-4(7)8;;/h6*1-5H;1-2H,(H,5,6)(H,7,8);;/q;;;;;;;2*+1/p-2/b;;;;;;2-1-;;
InChIKeyIOMRUDPZPOVCQZ-JRKBNQMXSA-L
MW814.11 g/mol
LogP1.45
Rot. Bonds8

About (Z)-but-2-enedioate;bis(triphenylstannanylium)

(Z)-but-2-enedioate;bis(triphenylstannanylium) (PubChem CID 70463220) has the molecular formula C40H32O4Sn2 and a molecular weight of 814.11 g/mol. Its IUPAC name is (Z)-but-2-enedioate;bis(triphenylstannanylium).

Molecular Properties

Compound Name(Z)-but-2-enedioate;bis(triphenylstannanylium)
PubChem CID70463220
Molecular FormulaC40H32O4Sn2
Molecular Weight814.11 g/mol
Exact Mass816.03
IUPAC Name(Z)-but-2-enedioate;bis(triphenylstannanylium)
SMILESO=C([O-])/C=C\C(=O)[O-].c1ccc([Sn+](c2ccccc2)c2ccccc2)cc1.c1ccc([Sn+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/6C6H5.C4H4O4.2Sn/c6*1-2-4-6-5-3-1;5-3(6)1-2-4(7)8;;/h6*1-5H;1-2H,(H,5,6)(H,7,8);;/q;;;;;;;2*+1/p-2/b;;;;;;2-1-;;
InChIKeyIOMRUDPZPOVCQZ-JRKBNQMXSA-L
XLogP1.45
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500814.11
LogP ≤ 51.45
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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Related Compounds

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CID 173196474
lithium 3-phenylprop-2-enoate
CID 67041801
(E)-but-2-enedioate
CID 5460307
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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioate;bis(triphenylstannanylium)?
The IUPAC name of (Z)-but-2-enedioate;bis(triphenylstannanylium) (CID 70463220) is (Z)-but-2-enedioate;bis(triphenylstannanylium).
What is the SMILES notation for (Z)-but-2-enedioate;bis(triphenylstannanylium)?
The canonical SMILES for (Z)-but-2-enedioate;bis(triphenylstannanylium) is O=C([O-])/C=C\C(=O)[O-].c1ccc([Sn+](c2ccccc2)c2ccccc2)cc1.c1ccc([Sn+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (Z)-but-2-enedioate;bis(triphenylstannanylium)?
The InChIKey is IOMRUDPZPOVCQZ-JRKBNQMXSA-L. The full InChI is InChI=1S/6C6H5.C4H4O4.2Sn/c6*1-2-4-6-5-3-1;5-3(6)1-2-4(7)8;;/h6*1-5H;1-2H,(H,5,6)(H,7,8);;/q;;;;;;;2*+1/p-2/b;;;;;;2-1-;;.
What are the key properties of (Z)-but-2-enedioate;bis(triphenylstannanylium)?
(Z)-but-2-enedioate;bis(triphenylstannanylium) has a molecular weight of 814.11 g/mol, XLogP of 1.45, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioate;bis(triphenylstannanylium) is sourced from PubChem (CID 70463220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).