(E)-2,3-bis(tributylstannyl)but-2-enedioate

C28H54O4Sn2-2 — CID 20836476

IUPAC(E)-2,3-bis(tributylstannyl)but-2-enedioate
SMILESCCCC[Sn](CCCC)(CCCC)/C(C(=O)[O-])=C(\C(=O)[O-])[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C4H2O4.6C4H9.2Sn/c5-3(6)1-2-4(7)8;6*1-3-4-2;;/h(H,5,6)(H,7,8);6*1,3-4H2,2H3;;/p-2
InChIKeyRNGFPIYQVAIBKJ-UHFFFAOYSA-L
MW692.16 g/mol
LogP6.56
Rot. Bonds22

About (E)-2,3-bis(tributylstannyl)but-2-enedioate

(E)-2,3-bis(tributylstannyl)but-2-enedioate (PubChem CID 20836476) has the molecular formula C28H54O4Sn2-2 and a molecular weight of 692.16 g/mol. Its IUPAC name is (E)-2,3-bis(tributylstannyl)but-2-enedioate.

Molecular Properties

Compound Name(E)-2,3-bis(tributylstannyl)but-2-enedioate
PubChem CID20836476
Molecular FormulaC28H54O4Sn2-2
Molecular Weight692.16 g/mol
Exact Mass694.21
IUPAC Name(E)-2,3-bis(tributylstannyl)but-2-enedioate
SMILESCCCC[Sn](CCCC)(CCCC)/C(C(=O)[O-])=C(\C(=O)[O-])[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C4H2O4.6C4H9.2Sn/c5-3(6)1-2-4(7)8;6*1-3-4-2;;/h(H,5,6)(H,7,8);6*1,3-4H2,2H3;;/p-2
InChIKeyRNGFPIYQVAIBKJ-UHFFFAOYSA-L
XLogP6.56
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.16
LogP ≤ 56.56
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

[dibutyl(propyl)stannyl]formic acid
CID 88843444
methyl (Z)-3-propanoyl-2-tributylstannyloct-2-enoate
CID 11454851
bis(butyl(triethyl)azanium);carbonate
CID 87364297
ethane;hexane;dicarbonate;hydrate
CID 18475207
zinc;hexane;diacetate
CID 174575867
(Z)-2,3-bis(tributylstannyl)but-2-ene-1,4-diol
CID 11082898
dipotassium;1-iodobutane;carbonate
CID 159571873
butylazanium;oxalate
CID 19844195
bis(tetrabutylazanium);carbonate
CID 14746847
butyl(triethyl)azanium;2-methylprop-2-enoate
CID 139889730
piperidin-1-yl(tributylstannyl)methanone
CID 11036834
potassium heptanoate
CID 23681741

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-bis(tributylstannyl)but-2-enedioate?
The IUPAC name of (E)-2,3-bis(tributylstannyl)but-2-enedioate (CID 20836476) is (E)-2,3-bis(tributylstannyl)but-2-enedioate.
What is the SMILES notation for (E)-2,3-bis(tributylstannyl)but-2-enedioate?
The canonical SMILES for (E)-2,3-bis(tributylstannyl)but-2-enedioate is CCCC[Sn](CCCC)(CCCC)/C(C(=O)[O-])=C(\C(=O)[O-])[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of (E)-2,3-bis(tributylstannyl)but-2-enedioate?
The InChIKey is RNGFPIYQVAIBKJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H2O4.6C4H9.2Sn/c5-3(6)1-2-4(7)8;6*1-3-4-2;;/h(H,5,6)(H,7,8);6*1,3-4H2,2H3;;/p-2.
What are the key properties of (E)-2,3-bis(tributylstannyl)but-2-enedioate?
(E)-2,3-bis(tributylstannyl)but-2-enedioate has a molecular weight of 692.16 g/mol, XLogP of 6.56, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-bis(tributylstannyl)but-2-enedioate is sourced from PubChem (CID 20836476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).