trimethyl-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium

C18H32P+ — CID 59084045

IUPACtrimethyl-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium
SMILESCC(C)=CCC/C(C)=C/C=C/C(C)=C/C[P+](C)(C)C
InChIInChI=1S/C18H32P/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-19(5,6)7/h9-10,12-14H,8,11,15H2,1-7H3/q+1/b13-9+,17-12+,18-14+
InChIKeyPUXOAWALYYIXFR-DGZDCGEPSA-N
MW279.43 g/mol
LogP6.09
Rot. Bonds7

About trimethyl-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium

trimethyl-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium (PubChem CID 59084045) has the molecular formula C18H32P+ and a molecular weight of 279.43 g/mol. Its IUPAC name is trimethyl-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium.

Molecular Properties

Compound Nametrimethyl-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium
PubChem CID59084045
Molecular FormulaC18H32P+
Molecular Weight279.43 g/mol
Exact Mass279.22
IUPAC Nametrimethyl-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium
SMILESCC(C)=CCC/C(C)=C/C=C/C(C)=C/C[P+](C)(C)C
InChIInChI=1S/C18H32P/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-19(5,6)7/h9-10,12-14H,8,11,15H2,1-7H3/q+1/b13-9+,17-12+,18-14+
InChIKeyPUXOAWALYYIXFR-DGZDCGEPSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 56.09
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium?
The IUPAC name of trimethyl-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium (CID 59084045) is trimethyl-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium.
What is the SMILES notation for trimethyl-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium?
The canonical SMILES for trimethyl-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium is CC(C)=CCC/C(C)=C/C=C/C(C)=C/C[P+](C)(C)C.
What is the InChIKey of trimethyl-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium?
The InChIKey is PUXOAWALYYIXFR-DGZDCGEPSA-N. The full InChI is InChI=1S/C18H32P/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-19(5,6)7/h9-10,12-14H,8,11,15H2,1-7H3/q+1/b13-9+,17-12+,18-14+.
What are the key properties of trimethyl-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium?
trimethyl-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium has a molecular weight of 279.43 g/mol, XLogP of 6.09, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]phosphanium is sourced from PubChem (CID 59084045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).