[oxido-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl] phosphate

C15H25O7P2-3 — CID 15983959

IUPAC[oxido-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl] phosphate
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]
InChIInChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/p-3/b14-9+,15-11+
InChIKeyVWFJDQUYCIWHTN-YFVJMOTDSA-K
MW379.31 g/mol
LogP2.74
Rot. Bonds11

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

[oxido-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl] phosphate (PubChem CID 15983959) has the molecular formula C15H25O7P2-3 and a molecular weight of 379.31 g/mol. Its IUPAC name is [oxido-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl] phosphate.

Molecular Properties

Compound Name[oxido-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl] phosphate
PubChem CID15983959
Molecular FormulaC15H25O7P2-3
Molecular Weight379.31 g/mol
Exact Mass379.11
IUPAC Name[oxido-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl] phosphate
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]
InChIInChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/p-3/b14-9+,15-11+
InChIKeyVWFJDQUYCIWHTN-YFVJMOTDSA-K
XLogP2.74
TPSA121.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 [oxido-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl] phosphate?
The IUPAC name of [oxido-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl] phosphate (CID 15983959) is [oxido-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl] phosphate.
What is the SMILES notation for [oxido-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl] phosphate?
The canonical SMILES for [oxido-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl] phosphate is CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-].
What is the InChIKey of [oxido-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl] phosphate?
The InChIKey is VWFJDQUYCIWHTN-YFVJMOTDSA-K. The full InChI is InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/p-3/b14-9+,15-11+.
What are the key properties of [oxido-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl] phosphate?
[oxido-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl] phosphate has a molecular weight of 379.31 g/mol, XLogP of 2.74, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [oxido-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl] phosphate is sourced from PubChem (CID 15983959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).