[(2E)-5,9-dimethyldeca-2,8-dienyl]-triphenylphosphanium

C30H36P+ — CID 102504264

IUPAC[(2E)-5,9-dimethyldeca-2,8-dienyl]-triphenylphosphanium
SMILESCC(C)=CCCC(C)C/C=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H36P/c1-26(2)16-15-18-27(3)17-13-14-25-31(28-19-7-4-8-20-28,29-21-9-5-10-22-29)30-23-11-6-12-24-30/h4-14,16,19-24,27H,15,17-18,25H2,1-3H3/q+1/b14-13+
InChIKeySBFQAQPRYFVWQB-BUHFOSPRSA-N
MW427.59 g/mol
LogP7.31
Rot. Bonds10

About [(2E)-5,9-dimethyldeca-2,8-dienyl]-triphenylphosphanium

[(2E)-5,9-dimethyldeca-2,8-dienyl]-triphenylphosphanium (PubChem CID 102504264) has the molecular formula C30H36P+ and a molecular weight of 427.59 g/mol. Its IUPAC name is [(2E)-5,9-dimethyldeca-2,8-dienyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(2E)-5,9-dimethyldeca-2,8-dienyl]-triphenylphosphanium
PubChem CID102504264
Molecular FormulaC30H36P+
Molecular Weight427.59 g/mol
Exact Mass427.25
IUPAC Name[(2E)-5,9-dimethyldeca-2,8-dienyl]-triphenylphosphanium
SMILESCC(C)=CCCC(C)C/C=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H36P/c1-26(2)16-15-18-27(3)17-13-14-25-31(28-19-7-4-8-20-28,29-21-9-5-10-22-29)30-23-11-6-12-24-30/h4-14,16,19-24,27H,15,17-18,25H2,1-3H3/q+1/b14-13+
InChIKeySBFQAQPRYFVWQB-BUHFOSPRSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(1Z,4S)-4,8-dimethylnona-1,7-dienyl]benzene
CID 175723807
benzaldehyde;3,7-dimethyloct-6-enal
CID 87489443
(1E)-1-chloro-4,8-dimethylnona-1,7-diene
CID 138971565
[(E)-4-hydroxybut-2-enyl]-triphenylphosphanium
CID 10894920
(2Z,4Z,7S)-3,7,11-trimethyldodeca-2,4,10-triene
CID 98562862
(2Z,4E,7R)-3,7,11-trimethyldodeca-2,4,10-triene
CID 15276139
triphenyl-[(E)-6,8,8-trimethylnon-3-enyl]phosphanium
CID 101160333
3,7-dimethyloct-6-enoxymethylbenzene
CID 11299598
[(E)-but-2-enyl]-triphenylphosphanium iodide
CID 19366382
3,7-dimethyl-N-pyridin-2-yloct-6-en-1-imine
CID 139678117
phenyl 3,7-dimethyloct-6-enoate
CID 142994428
triphenyl-[(2E,4E,6Z)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium bromide
CID 10995183

Frequently Asked Questions

What is the IUPAC name of [(2E)-5,9-dimethyldeca-2,8-dienyl]-triphenylphosphanium?
The IUPAC name of [(2E)-5,9-dimethyldeca-2,8-dienyl]-triphenylphosphanium (CID 102504264) is [(2E)-5,9-dimethyldeca-2,8-dienyl]-triphenylphosphanium.
What is the SMILES notation for [(2E)-5,9-dimethyldeca-2,8-dienyl]-triphenylphosphanium?
The canonical SMILES for [(2E)-5,9-dimethyldeca-2,8-dienyl]-triphenylphosphanium is CC(C)=CCCC(C)C/C=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2E)-5,9-dimethyldeca-2,8-dienyl]-triphenylphosphanium?
The InChIKey is SBFQAQPRYFVWQB-BUHFOSPRSA-N. The full InChI is InChI=1S/C30H36P/c1-26(2)16-15-18-27(3)17-13-14-25-31(28-19-7-4-8-20-28,29-21-9-5-10-22-29)30-23-11-6-12-24-30/h4-14,16,19-24,27H,15,17-18,25H2,1-3H3/q+1/b14-13+.
What are the key properties of [(2E)-5,9-dimethyldeca-2,8-dienyl]-triphenylphosphanium?
[(2E)-5,9-dimethyldeca-2,8-dienyl]-triphenylphosphanium has a molecular weight of 427.59 g/mol, XLogP of 7.31, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-5,9-dimethyldeca-2,8-dienyl]-triphenylphosphanium is sourced from PubChem (CID 102504264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).