[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate

C15H25O4P-2 — CID 46926298

IUPAC[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])[O-]
InChIInChI=1S/C15H27O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)/p-2/b14-9+,15-11+
InChIKeyALEWCKXBHSDCCT-YFVJMOTDSA-L
MW300.34 g/mol
LogP3.25
Rot. Bonds9

About [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate

[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate (PubChem CID 46926298) has the molecular formula C15H25O4P-2 and a molecular weight of 300.34 g/mol. Its IUPAC name is [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate.

Molecular Properties

Compound Name[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate
PubChem CID46926298
Molecular FormulaC15H25O4P-2
Molecular Weight300.34 g/mol
Exact Mass300.15
IUPAC Name[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])[O-]
InChIInChI=1S/C15H27O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)/p-2/b14-9+,15-11+
InChIKeyALEWCKXBHSDCCT-YFVJMOTDSA-L
XLogP3.25
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate?
The IUPAC name of [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate (CID 46926298) is [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate.
What is the SMILES notation for [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate?
The canonical SMILES for [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate is CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])[O-].
What is the InChIKey of [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate?
The InChIKey is ALEWCKXBHSDCCT-YFVJMOTDSA-L. The full InChI is InChI=1S/C15H27O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)/p-2/b14-9+,15-11+.
What are the key properties of [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate?
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate has a molecular weight of 300.34 g/mol, XLogP of 3.25, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] phosphate is sourced from PubChem (CID 46926298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).