[(2E)-2-bromo-4-methylhexa-2,4-dienylidene]tungsten

C7H9BrW — CID 58066334

IUPAC[(2E)-2-bromo-4-methylhexa-2,4-dienylidene]tungsten
SMILESCC=C(C)/C=C(/Br)C=[W]
InChIInChI=1S/C7H9Br.W/c1-4-6(2)5-7(3)8;/h3-5H,1-2H3;/b6-4?,7-5+;
InChIKeyFPMBFXCYHCYSDL-BCZCZIRLSA-N
MW356.89 g/mol
LogP2.58
Rot. Bonds2

About [(2E)-2-bromo-4-methylhexa-2,4-dienylidene]tungsten

[(2E)-2-bromo-4-methylhexa-2,4-dienylidene]tungsten (PubChem CID 58066334) has the molecular formula C7H9BrW and a molecular weight of 356.89 g/mol. Its IUPAC name is [(2E)-2-bromo-4-methylhexa-2,4-dienylidene]tungsten.

Molecular Properties

Compound Name[(2E)-2-bromo-4-methylhexa-2,4-dienylidene]tungsten
PubChem CID58066334
Molecular FormulaC7H9BrW
Molecular Weight356.89 g/mol
Exact Mass355.94
IUPAC Name[(2E)-2-bromo-4-methylhexa-2,4-dienylidene]tungsten
SMILESCC=C(C)/C=C(/Br)C=[W]
InChIInChI=1S/C7H9Br.W/c1-4-6(2)5-7(3)8;/h3-5H,1-2H3;/b6-4?,7-5+;
InChIKeyFPMBFXCYHCYSDL-BCZCZIRLSA-N
XLogP2.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-methylhexa-2,4-diene
CID 76702782
(2Z,4Z,6Z)-3,4,6-trimethylocta-2,4,6-triene
CID 142039521
(2Z,4Z)-4-methylhexa-2,4-dien-2-amine
CID 126728104
(2E,4E)-2-fluoro-4-methylhexa-2,4-diene
CID 143698072
(2E,4Z)-2,4-dimethylhexa-2,4-dienamide
CID 143679852
(3Z,5E)-5-bromo-3-methylhepta-1,3,5-triene
CID 143591783
(4Z,6E)-3,5-dimethylocta-2,4,6-triene
CID 144536479
(2Z,4Z,6Z)-3,6-dimethyl-4-prop-1-en-2-ylocta-2,4,6-triene
CID 144541052
2,5-dimethyl-3-prop-1-en-2-ylhepta-1,3,5-triene
CID 91175342
(2E,4Z)-2-[(E)-but-2-en-2-yl]-4-methylhexa-2,4-dienoic acid
CID 142310927
4-methylhexa-2,4-diene-1,2-diol
CID 174371366
(2Z,5E)-5-bromo-2-methyl-4-oxohepta-2,5-dienal
CID 146176919

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-bromo-4-methylhexa-2,4-dienylidene]tungsten?
The IUPAC name of [(2E)-2-bromo-4-methylhexa-2,4-dienylidene]tungsten (CID 58066334) is [(2E)-2-bromo-4-methylhexa-2,4-dienylidene]tungsten.
What is the SMILES notation for [(2E)-2-bromo-4-methylhexa-2,4-dienylidene]tungsten?
The canonical SMILES for [(2E)-2-bromo-4-methylhexa-2,4-dienylidene]tungsten is CC=C(C)/C=C(/Br)C=[W].
What is the InChIKey of [(2E)-2-bromo-4-methylhexa-2,4-dienylidene]tungsten?
The InChIKey is FPMBFXCYHCYSDL-BCZCZIRLSA-N. The full InChI is InChI=1S/C7H9Br.W/c1-4-6(2)5-7(3)8;/h3-5H,1-2H3;/b6-4?,7-5+;.
What are the key properties of [(2E)-2-bromo-4-methylhexa-2,4-dienylidene]tungsten?
[(2E)-2-bromo-4-methylhexa-2,4-dienylidene]tungsten has a molecular weight of 356.89 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-bromo-4-methylhexa-2,4-dienylidene]tungsten is sourced from PubChem (CID 58066334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).