[(2Z)-2-formylpenta-2,4-dienylidene]tungsten

C6H6OW — CID 58256469

IUPAC[(2Z)-2-formylpenta-2,4-dienylidene]tungsten
SMILESC=C/C=C(/C=O)C=[W]
InChIInChI=1S/C6H6O.W/c1-3-4-6(2)5-7;/h2-5H,1H2;/b6-4+;
InChIKeyCKLCYSMDCHXOTH-CVDVRWGVSA-N
MW277.95 g/mol
LogP0.65
Rot. Bonds3

About [(2Z)-2-formylpenta-2,4-dienylidene]tungsten

[(2Z)-2-formylpenta-2,4-dienylidene]tungsten (PubChem CID 58256469) has the molecular formula C6H6OW and a molecular weight of 277.95 g/mol. Its IUPAC name is [(2Z)-2-formylpenta-2,4-dienylidene]tungsten.

Molecular Properties

Compound Name[(2Z)-2-formylpenta-2,4-dienylidene]tungsten
PubChem CID58256469
Molecular FormulaC6H6OW
Molecular Weight277.95 g/mol
Exact Mass277.99
IUPAC Name[(2Z)-2-formylpenta-2,4-dienylidene]tungsten
SMILESC=C/C=C(/C=O)C=[W]
InChIInChI=1S/C6H6O.W/c1-3-4-6(2)5-7;/h2-5H,1H2;/b6-4+;
InChIKeyCKLCYSMDCHXOTH-CVDVRWGVSA-N
XLogP0.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.95
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-hexa-1,3,5-triene-1,1,3-tricarbaldehyde
CID 166653083
methyl thiohypofluorite;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienal
CID 142138800
(2E)-2-[(E)-2-propan-2-yloxyprop-1-enyl]penta-2,4-dienal
CID 142866167
(2E,4Z)-4-ethenylhepta-2,4,6-trienal
CID 118145094
(3E)-3-fluoro-2-methylidenehexa-3,5-dienal
CID 142607987
(2E)-2-ethylpenta-2,4-dienal
CID 88543271
(2Z)-2-[1-[[(3Z)-3-formylhexa-1,3,5-trien-2-yl]disulfanyl]ethenyl]penta-2,4-dienal
CID 143612783
CID 89152245
CID 89152245
2-prop-2-enylidenepentanedial
CID 88740289
(2E,4E,6E)-6-ethenylnona-2,4,6,8-tetraenoic acid
CID 144698849
ethane;(E)-2-ethenyl-4-methyliminobut-2-enal
CID 145154775
(E)-2-ethenyl-4-methylidenehex-2-enal
CID 142874155

Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-formylpenta-2,4-dienylidene]tungsten?
The IUPAC name of [(2Z)-2-formylpenta-2,4-dienylidene]tungsten (CID 58256469) is [(2Z)-2-formylpenta-2,4-dienylidene]tungsten.
What is the SMILES notation for [(2Z)-2-formylpenta-2,4-dienylidene]tungsten?
The canonical SMILES for [(2Z)-2-formylpenta-2,4-dienylidene]tungsten is C=C/C=C(/C=O)C=[W].
What is the InChIKey of [(2Z)-2-formylpenta-2,4-dienylidene]tungsten?
The InChIKey is CKLCYSMDCHXOTH-CVDVRWGVSA-N. The full InChI is InChI=1S/C6H6O.W/c1-3-4-6(2)5-7;/h2-5H,1H2;/b6-4+;.
What are the key properties of [(2Z)-2-formylpenta-2,4-dienylidene]tungsten?
[(2Z)-2-formylpenta-2,4-dienylidene]tungsten has a molecular weight of 277.95 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-formylpenta-2,4-dienylidene]tungsten is sourced from PubChem (CID 58256469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).