bismuth bis((2E,4E)-dodeca-2,4-dienoate)

C24H38BiO4+ — CID 6433559

IUPACbismuth bis((2E,4E)-dodeca-2,4-dienoate)
SMILESCCCCCCC/C=C/C=C/C(=O)[O-].CCCCCCC/C=C/C=C/C(=O)[O-].[Bi+3]
InChIInChI=1S/2C12H20O2.Bi/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2*8-11H,2-7H2,1H3,(H,13,14);/q;;+3/p-2/b2*9-8+,11-10+;
InChIKeyMUSPIGWUKRXVEL-LNLXYGKESA-L
MW599.54 g/mol
LogP4.04
Rot. Bonds16

About bismuth bis((2E,4E)-dodeca-2,4-dienoate)

bismuth bis((2E,4E)-dodeca-2,4-dienoate) (PubChem CID 6433559) has the molecular formula C24H38BiO4+ and a molecular weight of 599.54 g/mol. Its IUPAC name is bismuth bis((2E,4E)-dodeca-2,4-dienoate).

Molecular Properties

Compound Namebismuth bis((2E,4E)-dodeca-2,4-dienoate)
PubChem CID6433559
Molecular FormulaC24H38BiO4+
Molecular Weight599.54 g/mol
Exact Mass599.26
IUPAC Namebismuth bis((2E,4E)-dodeca-2,4-dienoate)
SMILESCCCCCCC/C=C/C=C/C(=O)[O-].CCCCCCC/C=C/C=C/C(=O)[O-].[Bi+3]
InChIInChI=1S/2C12H20O2.Bi/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2*8-11H,2-7H2,1H3,(H,13,14);/q;;+3/p-2/b2*9-8+,11-10+;
InChIKeyMUSPIGWUKRXVEL-LNLXYGKESA-L
XLogP4.04
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.54
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z,6E,8Z,10Z)-icosa-2,4,6,8,10-pentaenoate
CID 21145301
sodium icosa-2,4,6,8-tetraenoate
CID 165168536
lithium docosa-2,4,6,8,10,12-hexaenoate
CID 74087716
sodium docosa-2,4,6,8,10,12-hexaenoate
CID 173150739
silver icosa-2,4,6,8,10-pentaenoate
CID 173148678
potassium (2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoate
CID 23712824
silver docosa-2,4,6,8,10,12-hexaenoate
CID 173148941
lead(2+);bis(undec-2-enoate)
CID 87254257
lithium nonadec-2-enoate
CID 139791513
magnesium bis(dec-2-enoate)
CID 159853408
manganese(2+);bis(undec-2-enoate)
CID 89315247
azanium dec-2-enoate
CID 162335967

Frequently Asked Questions

What is the IUPAC name of bismuth bis((2E,4E)-dodeca-2,4-dienoate)?
The IUPAC name of bismuth bis((2E,4E)-dodeca-2,4-dienoate) (CID 6433559) is bismuth bis((2E,4E)-dodeca-2,4-dienoate).
What is the SMILES notation for bismuth bis((2E,4E)-dodeca-2,4-dienoate)?
The canonical SMILES for bismuth bis((2E,4E)-dodeca-2,4-dienoate) is CCCCCCC/C=C/C=C/C(=O)[O-].CCCCCCC/C=C/C=C/C(=O)[O-].[Bi+3].
What is the InChIKey of bismuth bis((2E,4E)-dodeca-2,4-dienoate)?
The InChIKey is MUSPIGWUKRXVEL-LNLXYGKESA-L. The full InChI is InChI=1S/2C12H20O2.Bi/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2*8-11H,2-7H2,1H3,(H,13,14);/q;;+3/p-2/b2*9-8+,11-10+;.
What are the key properties of bismuth bis((2E,4E)-dodeca-2,4-dienoate)?
bismuth bis((2E,4E)-dodeca-2,4-dienoate) has a molecular weight of 599.54 g/mol, XLogP of 4.04, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bismuth bis((2E,4E)-dodeca-2,4-dienoate) is sourced from PubChem (CID 6433559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).