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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Related Compounds

(3E,5E,7E,9E,11E,13E,15E,17E)-2,2,19,19-tetramethylicosa-3,5,7,9,11,13,15,17-octaene
CID 11782262
(E)-3,3,6,6-tetramethylhept-4-en-2-one
CID 89008676
(2E,4E,6E)-8,8-dimethylnona-2,4,6-trienal
CID 15208834
(2E,4E,6E,8E)-10,10-dimethylundeca-2,4,6,8-tetraenal
CID 11194828
(3Z,5E)-7,7,7-trifluoro-3-methylhepta-1,3,5-triene
CID 89192283
3,3-dimethylbut-1-enyl 2-methylprop-2-enoate;2,6,6-trimethylhepta-2,4-dienoic acid
CID 160699474
(2Z,4E,6Z)-2,7-dimethylocta-2,4,6-trienedial
CID 22096555
(2E,4E,6E)-2,7-di((113C)methyl)(1,2,3,4,5,6,7,8-13C8)octa-2,4,6-trienedial
CID 10975976
(2E,4E,6Z)-2,7-dimethylocta-2,4,6-trienedial;(2Z,4E,6Z)-2,7-dimethylocta-2,4,6-trienedial
CID 158860721
(4E)-3,3,7-trimethylocta-4,6-dien-2-one
CID 101383748
(2E)-6,6-dimethylhepta-2,4-dien-1-ol
CID 154163380
2,2-dimethylpropane;(Z)-2,2,5,5-tetramethylhex-3-ene
CID 162128993

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).