[(3Z)-3,5-dimethylhexa-3,5-dien-2-ylidene]tungsten

C8H11W- — CID 20723076

IUPAC[(3Z)-3,5-dimethylhexa-3,5-dien-2-ylidene]tungsten
SMILES[H]/[C-]=C(C)/C=C(/C)C(C)=[W]
InChIInChI=1S/C8H11.W/c1-5-8(4)6-7(2)3;/h2,6H,1,3-4H3;/q-1;/b8-6-;
InChIKeyHXBCAZOEVNDSTA-PHZXCRFESA-N
MW291.02 g/mol
LogP2.05
Rot. Bonds2

About [(3Z)-3,5-dimethylhexa-3,5-dien-2-ylidene]tungsten

[(3Z)-3,5-dimethylhexa-3,5-dien-2-ylidene]tungsten (PubChem CID 20723076) has the molecular formula C8H11W- and a molecular weight of 291.02 g/mol. Its IUPAC name is [(3Z)-3,5-dimethylhexa-3,5-dien-2-ylidene]tungsten.

Molecular Properties

Compound Name[(3Z)-3,5-dimethylhexa-3,5-dien-2-ylidene]tungsten
PubChem CID20723076
Molecular FormulaC8H11W-
Molecular Weight291.02 g/mol
Exact Mass291.04
IUPAC Name[(3Z)-3,5-dimethylhexa-3,5-dien-2-ylidene]tungsten
SMILES[H]/[C-]=C(C)/C=C(/C)C(C)=[W]
InChIInChI=1S/C8H11.W/c1-5-8(4)6-7(2)3;/h2,6H,1,3-4H3;/q-1;/b8-6-;
InChIKeyHXBCAZOEVNDSTA-PHZXCRFESA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.02
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3Z)-3,5-dimethylhexa-3,5-dien-2-ylidene]tungsten?
The IUPAC name of [(3Z)-3,5-dimethylhexa-3,5-dien-2-ylidene]tungsten (CID 20723076) is [(3Z)-3,5-dimethylhexa-3,5-dien-2-ylidene]tungsten.
What is the SMILES notation for [(3Z)-3,5-dimethylhexa-3,5-dien-2-ylidene]tungsten?
The canonical SMILES for [(3Z)-3,5-dimethylhexa-3,5-dien-2-ylidene]tungsten is [H]/[C-]=C(C)/C=C(/C)C(C)=[W].
What is the InChIKey of [(3Z)-3,5-dimethylhexa-3,5-dien-2-ylidene]tungsten?
The InChIKey is HXBCAZOEVNDSTA-PHZXCRFESA-N. The full InChI is InChI=1S/C8H11.W/c1-5-8(4)6-7(2)3;/h2,6H,1,3-4H3;/q-1;/b8-6-;.
What are the key properties of [(3Z)-3,5-dimethylhexa-3,5-dien-2-ylidene]tungsten?
[(3Z)-3,5-dimethylhexa-3,5-dien-2-ylidene]tungsten has a molecular weight of 291.02 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-3,5-dimethylhexa-3,5-dien-2-ylidene]tungsten is sourced from PubChem (CID 20723076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).