2,6,6-trimethylhepta-2,4-dienylidenetungsten

C10H16W — CID 161472967

IUPAC2,6,6-trimethylhepta-2,4-dienylidenetungsten
SMILESCC(C=[W])=CC=CC(C)(C)C
InChIInChI=1S/C10H16.W/c1-9(2)7-6-8-10(3,4)5;/h1,6-8H,2-5H3;
InChIKeyIQWXLWYIESRABC-UHFFFAOYSA-N
MW320.08 g/mol
LogP2.88
Rot. Bonds2

About 2,6,6-trimethylhepta-2,4-dienylidenetungsten

2,6,6-trimethylhepta-2,4-dienylidenetungsten (PubChem CID 161472967) has the molecular formula C10H16W and a molecular weight of 320.08 g/mol. Its IUPAC name is 2,6,6-trimethylhepta-2,4-dienylidenetungsten.

Molecular Properties

Compound Name2,6,6-trimethylhepta-2,4-dienylidenetungsten
PubChem CID161472967
Molecular FormulaC10H16W
Molecular Weight320.08 g/mol
Exact Mass320.08
IUPAC Name2,6,6-trimethylhepta-2,4-dienylidenetungsten
SMILESCC(C=[W])=CC=CC(C)(C)C
InChIInChI=1S/C10H16.W/c1-9(2)7-6-8-10(3,4)5;/h1,6-8H,2-5H3;
InChIKeyIQWXLWYIESRABC-UHFFFAOYSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.08
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethylhepta-2,4-dienylidenetungsten?
The IUPAC name of 2,6,6-trimethylhepta-2,4-dienylidenetungsten (CID 161472967) is 2,6,6-trimethylhepta-2,4-dienylidenetungsten.
What is the SMILES notation for 2,6,6-trimethylhepta-2,4-dienylidenetungsten?
The canonical SMILES for 2,6,6-trimethylhepta-2,4-dienylidenetungsten is CC(C=[W])=CC=CC(C)(C)C.
What is the InChIKey of 2,6,6-trimethylhepta-2,4-dienylidenetungsten?
The InChIKey is IQWXLWYIESRABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.W/c1-9(2)7-6-8-10(3,4)5;/h1,6-8H,2-5H3;.
What are the key properties of 2,6,6-trimethylhepta-2,4-dienylidenetungsten?
2,6,6-trimethylhepta-2,4-dienylidenetungsten has a molecular weight of 320.08 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethylhepta-2,4-dienylidenetungsten is sourced from PubChem (CID 161472967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).