[oxido-[(2E)-2,3,7-trimethylocta-2,6-dienoxy]phosphoryl] phosphate

C11H19O7P2-3 — CID 51351721

IUPAC[oxido-[(2E)-2,3,7-trimethylocta-2,6-dienoxy]phosphoryl] phosphate
SMILESCC(C)=CCC/C(C)=C(\C)COP(=O)([O-])OP(=O)([O-])[O-]
InChIInChI=1S/C11H22O7P2/c1-9(2)6-5-7-10(3)11(4)8-17-20(15,16)18-19(12,13)14/h6H,5,7-8H2,1-4H3,(H,15,16)(H2,12,13,14)/p-3/b11-10+
InChIKeyPRUWPPRJQIGKNB-ZHACJKMWSA-K
MW325.21 g/mol
LogP1.40
Rot. Bonds8

About [oxido-[(2E)-2,3,7-trimethylocta-2,6-dienoxy]phosphoryl] phosphate

[oxido-[(2E)-2,3,7-trimethylocta-2,6-dienoxy]phosphoryl] phosphate (PubChem CID 51351721) has the molecular formula C11H19O7P2-3 and a molecular weight of 325.21 g/mol. Its IUPAC name is [oxido-[(2E)-2,3,7-trimethylocta-2,6-dienoxy]phosphoryl] phosphate.

Molecular Properties

Compound Name[oxido-[(2E)-2,3,7-trimethylocta-2,6-dienoxy]phosphoryl] phosphate
PubChem CID51351721
Molecular FormulaC11H19O7P2-3
Molecular Weight325.21 g/mol
Exact Mass325.06
IUPAC Name[oxido-[(2E)-2,3,7-trimethylocta-2,6-dienoxy]phosphoryl] phosphate
SMILESCC(C)=CCC/C(C)=C(\C)COP(=O)([O-])OP(=O)([O-])[O-]
InChIInChI=1S/C11H22O7P2/c1-9(2)6-5-7-10(3)11(4)8-17-20(15,16)18-19(12,13)14/h6H,5,7-8H2,1-4H3,(H,15,16)(H2,12,13,14)/p-3/b11-10+
InChIKeyPRUWPPRJQIGKNB-ZHACJKMWSA-K
XLogP1.40
TPSA121.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 51.40
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)-2,3,7-trimethylocta-2,6-dienoxy]phosphoryl] phosphate?
The IUPAC name of [oxido-[(2E)-2,3,7-trimethylocta-2,6-dienoxy]phosphoryl] phosphate (CID 51351721) is [oxido-[(2E)-2,3,7-trimethylocta-2,6-dienoxy]phosphoryl] phosphate.
What is the SMILES notation for [oxido-[(2E)-2,3,7-trimethylocta-2,6-dienoxy]phosphoryl] phosphate?
The canonical SMILES for [oxido-[(2E)-2,3,7-trimethylocta-2,6-dienoxy]phosphoryl] phosphate is CC(C)=CCC/C(C)=C(\C)COP(=O)([O-])OP(=O)([O-])[O-].
What is the InChIKey of [oxido-[(2E)-2,3,7-trimethylocta-2,6-dienoxy]phosphoryl] phosphate?
The InChIKey is PRUWPPRJQIGKNB-ZHACJKMWSA-K. The full InChI is InChI=1S/C11H22O7P2/c1-9(2)6-5-7-10(3)11(4)8-17-20(15,16)18-19(12,13)14/h6H,5,7-8H2,1-4H3,(H,15,16)(H2,12,13,14)/p-3/b11-10+.
What are the key properties of [oxido-[(2E)-2,3,7-trimethylocta-2,6-dienoxy]phosphoryl] phosphate?
[oxido-[(2E)-2,3,7-trimethylocta-2,6-dienoxy]phosphoryl] phosphate has a molecular weight of 325.21 g/mol, XLogP of 1.40, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [oxido-[(2E)-2,3,7-trimethylocta-2,6-dienoxy]phosphoryl] phosphate is sourced from PubChem (CID 51351721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).