[(2Z)-6-methyl-2-propan-2-ylhepta-2,4-dienylidene]tungsten;tungsten

C11H17W5- — CID 20755224

IUPAC[(2Z)-6-methyl-2-propan-2-ylhepta-2,4-dienylidene]tungsten;tungsten
SMILESCC(C)/[C-]=C/C=C(\C=[W])C(C)C.[W].[W].[W].[W]
InChIInChI=1S/C11H17.5W/c1-9(2)7-6-8-11(5)10(3)4;;;;;/h5-6,8-10H,1-4H3;;;;;/q-1;;;;;/b11-8+;;;;;
InChIKeyAAQUUIFPZGQOAV-WEBCDHPFSA-N
MW1068.46 g/mol
LogP2.92
Rot. Bonds4

About [(2Z)-6-methyl-2-propan-2-ylhepta-2,4-dienylidene]tungsten;tungsten

[(2Z)-6-methyl-2-propan-2-ylhepta-2,4-dienylidene]tungsten;tungsten (PubChem CID 20755224) has the molecular formula C11H17W5- and a molecular weight of 1068.46 g/mol. Its IUPAC name is [(2Z)-6-methyl-2-propan-2-ylhepta-2,4-dienylidene]tungsten;tungsten.

Molecular Properties

Compound Name[(2Z)-6-methyl-2-propan-2-ylhepta-2,4-dienylidene]tungsten;tungsten
PubChem CID20755224
Molecular FormulaC11H17W5-
Molecular Weight1068.46 g/mol
Exact Mass1068.89
IUPAC Name[(2Z)-6-methyl-2-propan-2-ylhepta-2,4-dienylidene]tungsten;tungsten
SMILESCC(C)/[C-]=C/C=C(\C=[W])C(C)C.[W].[W].[W].[W]
InChIInChI=1S/C11H17.5W/c1-9(2)7-6-8-11(5)10(3)4;;;;;/h5-6,8-10H,1-4H3;;;;;/q-1;;;;;/b11-8+;;;;;
InChIKeyAAQUUIFPZGQOAV-WEBCDHPFSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001068.46
LogP ≤ 52.92
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 [(2Z)-6-methyl-2-propan-2-ylhepta-2,4-dienylidene]tungsten;tungsten?
The IUPAC name of [(2Z)-6-methyl-2-propan-2-ylhepta-2,4-dienylidene]tungsten;tungsten (CID 20755224) is [(2Z)-6-methyl-2-propan-2-ylhepta-2,4-dienylidene]tungsten;tungsten.
What is the SMILES notation for [(2Z)-6-methyl-2-propan-2-ylhepta-2,4-dienylidene]tungsten;tungsten?
The canonical SMILES for [(2Z)-6-methyl-2-propan-2-ylhepta-2,4-dienylidene]tungsten;tungsten is CC(C)/[C-]=C/C=C(\C=[W])C(C)C.[W].[W].[W].[W].
What is the InChIKey of [(2Z)-6-methyl-2-propan-2-ylhepta-2,4-dienylidene]tungsten;tungsten?
The InChIKey is AAQUUIFPZGQOAV-WEBCDHPFSA-N. The full InChI is InChI=1S/C11H17.5W/c1-9(2)7-6-8-11(5)10(3)4;;;;;/h5-6,8-10H,1-4H3;;;;;/q-1;;;;;/b11-8+;;;;;.
What are the key properties of [(2Z)-6-methyl-2-propan-2-ylhepta-2,4-dienylidene]tungsten;tungsten?
[(2Z)-6-methyl-2-propan-2-ylhepta-2,4-dienylidene]tungsten;tungsten has a molecular weight of 1068.46 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-6-methyl-2-propan-2-ylhepta-2,4-dienylidene]tungsten;tungsten is sourced from PubChem (CID 20755224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).