bis(antimony(3+));tris((Z)-2-methylbut-2-enedioate)

C15H12O12Sb2 — CID 160759783

IUPACbis(antimony(3+));tris((Z)-2-methylbut-2-enedioate)
SMILESC/C(=C/C(=O)[O-])C(=O)[O-].C/C(=C/C(=O)[O-])C(=O)[O-].C/C(=C/C(=O)[O-])C(=O)[O-].[Sb+3].[Sb+3]
InChIInChI=1S/3C5H6O4.2Sb/c3*1-3(5(8)9)2-4(6)7;;/h3*2H,1H3,(H,6,7)(H,8,9);;/q;;;2*+3/p-6/b3*3-2-;;
InChIKeyRXXFXAUNDHTUSA-RDVAROTISA-H
MW627.77 g/mol
LogP-8.46
Rot. Bonds6

About bis(antimony(3+));tris((Z)-2-methylbut-2-enedioate)

bis(antimony(3+));tris((Z)-2-methylbut-2-enedioate) (PubChem CID 160759783) has the molecular formula C15H12O12Sb2 and a molecular weight of 627.77 g/mol. Its IUPAC name is bis(antimony(3+));tris((Z)-2-methylbut-2-enedioate).

Molecular Properties

Compound Namebis(antimony(3+));tris((Z)-2-methylbut-2-enedioate)
PubChem CID160759783
Molecular FormulaC15H12O12Sb2
Molecular Weight627.77 g/mol
Exact Mass625.84
IUPAC Namebis(antimony(3+));tris((Z)-2-methylbut-2-enedioate)
SMILESC/C(=C/C(=O)[O-])C(=O)[O-].C/C(=C/C(=O)[O-])C(=O)[O-].C/C(=C/C(=O)[O-])C(=O)[O-].[Sb+3].[Sb+3]
InChIInChI=1S/3C5H6O4.2Sb/c3*1-3(5(8)9)2-4(6)7;;/h3*2H,1H3,(H,6,7)(H,8,9);;/q;;;2*+3/p-6/b3*3-2-;;
InChIKeyRXXFXAUNDHTUSA-RDVAROTISA-H
XLogP-8.46
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.77
LogP ≤ 5-8.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-hydroxy-2-methyl-4-oxobut-2-enoate
CID 22608878
bis(butyltin(3+));tris(2-methylbut-2-enedioate)
CID 173396016
(Z)-2-methylbut-2-enedioate;bis(triphenylsulfanium)
CID 172681484
azanium 4-amino-3-methyl-4-oxobut-2-enoate
CID 57371237
2-methylbut-2-enoate
CID 20982153
gallium tris((Z)-2-methylbut-2-enoate)
CID 175178881
magnesium bis(3-methylbut-2-enoate)
CID 140862404
disodium;(E)-2-acetylbut-2-enedioate
CID 175067117
bis((Z)-3-chlorobut-2-enoate);mercury(2+)
CID 22603930
(Z)-4-hydroxy-2-methyl-4-oxobut-2-enoate;tetraethylazanium
CID 172701295
(E)-2-methylpent-2-enoate
CID 7006461
2-methyl-4-oxo-4-phenylbut-2-enoate;rubidium(1+)
CID 173291657

Frequently Asked Questions

What is the IUPAC name of bis(antimony(3+));tris((Z)-2-methylbut-2-enedioate)?
The IUPAC name of bis(antimony(3+));tris((Z)-2-methylbut-2-enedioate) (CID 160759783) is bis(antimony(3+));tris((Z)-2-methylbut-2-enedioate).
What is the SMILES notation for bis(antimony(3+));tris((Z)-2-methylbut-2-enedioate)?
The canonical SMILES for bis(antimony(3+));tris((Z)-2-methylbut-2-enedioate) is C/C(=C/C(=O)[O-])C(=O)[O-].C/C(=C/C(=O)[O-])C(=O)[O-].C/C(=C/C(=O)[O-])C(=O)[O-].[Sb+3].[Sb+3].
What is the InChIKey of bis(antimony(3+));tris((Z)-2-methylbut-2-enedioate)?
The InChIKey is RXXFXAUNDHTUSA-RDVAROTISA-H. The full InChI is InChI=1S/3C5H6O4.2Sb/c3*1-3(5(8)9)2-4(6)7;;/h3*2H,1H3,(H,6,7)(H,8,9);;/q;;;2*+3/p-6/b3*3-2-;;.
What are the key properties of bis(antimony(3+));tris((Z)-2-methylbut-2-enedioate)?
bis(antimony(3+));tris((Z)-2-methylbut-2-enedioate) has a molecular weight of 627.77 g/mol, XLogP of -8.46, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(antimony(3+));tris((Z)-2-methylbut-2-enedioate) is sourced from PubChem (CID 160759783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).