di(penta-2,4-dienoyloxy)bismuthanyl penta-2,4-dienoate

C15H15BiO6 — CID 172754861

IUPACdi(penta-2,4-dienoyloxy)bismuthanyl penta-2,4-dienoate
SMILESC=CC=CC(=O)O[Bi](OC(=O)C=CC=C)OC(=O)C=CC=C
InChIInChI=1S/3C5H6O2.Bi/c3*1-2-3-4-5(6)7;/h3*2-4H,1H2,(H,6,7);/q;;;+3/p-3
InChIKeyKWNCFVUONDGEEI-UHFFFAOYSA-K
MW500.26 g/mol
LogP1.83
Rot. Bonds9

About di(penta-2,4-dienoyloxy)bismuthanyl penta-2,4-dienoate

di(penta-2,4-dienoyloxy)bismuthanyl penta-2,4-dienoate (PubChem CID 172754861) has the molecular formula C15H15BiO6 and a molecular weight of 500.26 g/mol. Its IUPAC name is di(penta-2,4-dienoyloxy)bismuthanyl penta-2,4-dienoate.

Molecular Properties

Compound Namedi(penta-2,4-dienoyloxy)bismuthanyl penta-2,4-dienoate
PubChem CID172754861
Molecular FormulaC15H15BiO6
Molecular Weight500.26 g/mol
Exact Mass500.07
IUPAC Namedi(penta-2,4-dienoyloxy)bismuthanyl penta-2,4-dienoate
SMILESC=CC=CC(=O)O[Bi](OC(=O)C=CC=C)OC(=O)C=CC=C
InChIInChI=1S/3C5H6O2.Bi/c3*1-2-3-4-5(6)7;/h3*2-4H,1H2,(H,6,7);/q;;;+3/p-3
InChIKeyKWNCFVUONDGEEI-UHFFFAOYSA-K
XLogP1.83
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.26
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethenyl (2E)-penta-2,4-dienoate
CID 87528503
methylsulfonyl (2Z)-penta-2,4-dienoate
CID 89441822
[4-[(2E)-penta-2,4-dienoyl]oxycyclohexyl] (2E)-penta-2,4-dienoate
CID 74221225
(2Z)-N,N-dimethylpenta-2,4-dienamide;ethane
CID 143678790
(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;methane
CID 156726265
ethyl (2E)-nona-2,4,6,8-tetraenoate
CID 149162972
[(2E)-penta-2,4-dienoyl] hept-6-enoate
CID 174531308
[(1E)-buta-1,3-dienyl] (2E,4E)-hexa-2,4-dienoate
CID 134872844
2-methoxybutan-2-yl penta-2,4-dienoate
CID 57183195
ethane;(2Z)-penta-2,4-dienamide
CID 143902044
(3E)-1-methoxyhexa-3,5-dien-2-one
CID 131241079
propyl hepta-2,4,6-trienoate
CID 91134520

Frequently Asked Questions

What is the IUPAC name of di(penta-2,4-dienoyloxy)bismuthanyl penta-2,4-dienoate?
The IUPAC name of di(penta-2,4-dienoyloxy)bismuthanyl penta-2,4-dienoate (CID 172754861) is di(penta-2,4-dienoyloxy)bismuthanyl penta-2,4-dienoate.
What is the SMILES notation for di(penta-2,4-dienoyloxy)bismuthanyl penta-2,4-dienoate?
The canonical SMILES for di(penta-2,4-dienoyloxy)bismuthanyl penta-2,4-dienoate is C=CC=CC(=O)O[Bi](OC(=O)C=CC=C)OC(=O)C=CC=C.
What is the InChIKey of di(penta-2,4-dienoyloxy)bismuthanyl penta-2,4-dienoate?
The InChIKey is KWNCFVUONDGEEI-UHFFFAOYSA-K. The full InChI is InChI=1S/3C5H6O2.Bi/c3*1-2-3-4-5(6)7;/h3*2-4H,1H2,(H,6,7);/q;;;+3/p-3.
What are the key properties of di(penta-2,4-dienoyloxy)bismuthanyl penta-2,4-dienoate?
di(penta-2,4-dienoyloxy)bismuthanyl penta-2,4-dienoate has a molecular weight of 500.26 g/mol, XLogP of 1.83, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for di(penta-2,4-dienoyloxy)bismuthanyl penta-2,4-dienoate is sourced from PubChem (CID 172754861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).