potassium;bis(2-benzofuran-1,3-dione);carbanide;methanolate;(E)-3-phenylprop-2-enoate;vanadium

C28H24KO10V-3 — CID 157388324

IUPACpotassium;bis(2-benzofuran-1,3-dione);carbanide;methanolate;(E)-3-phenylprop-2-enoate;vanadium
SMILESC[O-].C[O-].O=C([O-])/C=C/c1ccccc1.O=C1OC(=O)c2ccccc21.O=C1OC(=O)c2ccccc21.[CH3-].[K+].[V]
InChIInChI=1S/C9H8O2.2C8H4O3.2CH3O.CH3.K.V/c10-9(11)7-6-8-4-2-1-3-5-8;2*9-7-5-3-1-2-4-6(5)8(10)11-7;2*1-2;;;/h1-7H,(H,10,11);2*1-4H;2*1H3;1H3;;/q;;;3*-1;+1;/p-1/b7-6+;;;;;;;
InChIKeyOCMZIZZTBMIYGQ-CCDKBKFFSA-M
MW610.53 g/mol
LogP-2.15
Rot. Bonds2

About potassium;bis(2-benzofuran-1,3-dione);carbanide;methanolate;(E)-3-phenylprop-2-enoate;vanadium

potassium;bis(2-benzofuran-1,3-dione);carbanide;methanolate;(E)-3-phenylprop-2-enoate;vanadium (PubChem CID 157388324) has the molecular formula C28H24KO10V-3 and a molecular weight of 610.53 g/mol. Its IUPAC name is potassium;bis(2-benzofuran-1,3-dione);carbanide;methanolate;(E)-3-phenylprop-2-enoate;vanadium.

Molecular Properties

Compound Namepotassium;bis(2-benzofuran-1,3-dione);carbanide;methanolate;(E)-3-phenylprop-2-enoate;vanadium
PubChem CID157388324
Molecular FormulaC28H24KO10V-3
Molecular Weight610.53 g/mol
Exact Mass610.05
IUPAC Namepotassium;bis(2-benzofuran-1,3-dione);carbanide;methanolate;(E)-3-phenylprop-2-enoate;vanadium
SMILESC[O-].C[O-].O=C([O-])/C=C/c1ccccc1.O=C1OC(=O)c2ccccc21.O=C1OC(=O)c2ccccc21.[CH3-].[K+].[V]
InChIInChI=1S/C9H8O2.2C8H4O3.2CH3O.CH3.K.V/c10-9(11)7-6-8-4-2-1-3-5-8;2*9-7-5-3-1-2-4-6(5)8(10)11-7;2*1-2;;;/h1-7H,(H,10,11);2*1-4H;2*1H3;1H3;;/q;;;3*-1;+1;/p-1/b7-6+;;;;;;;
InChIKeyOCMZIZZTBMIYGQ-CCDKBKFFSA-M
XLogP-2.15
TPSA172.99 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.53
LogP ≤ 5-2.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

sodium (Z)-3-phenylprop-2-enoate
CID 23717933
tetrakis(3-phenylprop-2-enoate);tin(4+)
CID 157178082
barium(2+);bis(3-phenylprop-2-enoate)
CID 57371058
europium(2+);bis(3-phenylprop-2-enoate)
CID 173196474
lithium 3-phenylprop-2-enoate
CID 67041801
2-hydroxypropanoate;(E)-3-phenylprop-2-enoate
CID 21183403
potassium 2-oxo-4-phenylbut-3-enoate
CID 67784014
(E)-2-oxo-4-phenylbut-3-enoate
CID 6994167
carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
CID 161273372
disodium;4-methylpentanoic acid;bis(3-phenylprop-2-enoate)
CID 174884732
bis(2-benzofuran-1,3-dione);ethane
CID 143680396
2-benzofuran-1,3-dione
CID 123741998

Frequently Asked Questions

What is the IUPAC name of potassium;bis(2-benzofuran-1,3-dione);carbanide;methanolate;(E)-3-phenylprop-2-enoate;vanadium?
The IUPAC name of potassium;bis(2-benzofuran-1,3-dione);carbanide;methanolate;(E)-3-phenylprop-2-enoate;vanadium (CID 157388324) is potassium;bis(2-benzofuran-1,3-dione);carbanide;methanolate;(E)-3-phenylprop-2-enoate;vanadium.
What is the SMILES notation for potassium;bis(2-benzofuran-1,3-dione);carbanide;methanolate;(E)-3-phenylprop-2-enoate;vanadium?
The canonical SMILES for potassium;bis(2-benzofuran-1,3-dione);carbanide;methanolate;(E)-3-phenylprop-2-enoate;vanadium is C[O-].C[O-].O=C([O-])/C=C/c1ccccc1.O=C1OC(=O)c2ccccc21.O=C1OC(=O)c2ccccc21.[CH3-].[K+].[V].
What is the InChIKey of potassium;bis(2-benzofuran-1,3-dione);carbanide;methanolate;(E)-3-phenylprop-2-enoate;vanadium?
The InChIKey is OCMZIZZTBMIYGQ-CCDKBKFFSA-M. The full InChI is InChI=1S/C9H8O2.2C8H4O3.2CH3O.CH3.K.V/c10-9(11)7-6-8-4-2-1-3-5-8;2*9-7-5-3-1-2-4-6(5)8(10)11-7;2*1-2;;;/h1-7H,(H,10,11);2*1-4H;2*1H3;1H3;;/q;;;3*-1;+1;/p-1/b7-6+;;;;;;;.
What are the key properties of potassium;bis(2-benzofuran-1,3-dione);carbanide;methanolate;(E)-3-phenylprop-2-enoate;vanadium?
potassium;bis(2-benzofuran-1,3-dione);carbanide;methanolate;(E)-3-phenylprop-2-enoate;vanadium has a molecular weight of 610.53 g/mol, XLogP of -2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;bis(2-benzofuran-1,3-dione);carbanide;methanolate;(E)-3-phenylprop-2-enoate;vanadium is sourced from PubChem (CID 157388324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).