[(2E)-3,7-dimethylocta-2,6-dienyl] phosphate

C10H17O4P-2 — CID 52940120

IUPAC[(2E)-3,7-dimethylocta-2,6-dienyl] phosphate
SMILESCC(C)=CCC/C(C)=C/COP(=O)([O-])[O-]
InChIInChI=1S/C10H19O4P/c1-9(2)5-4-6-10(3)7-8-14-15(11,12)13/h5,7H,4,6,8H2,1-3H3,(H2,11,12,13)/p-2/b10-7+
InChIKeyFFOWJDCTFSWUMJ-JXMROGBWSA-L
MW232.22 g/mol
LogP1.52
Rot. Bonds6

About [(2E)-3,7-dimethylocta-2,6-dienyl] phosphate

[(2E)-3,7-dimethylocta-2,6-dienyl] phosphate (PubChem CID 52940120) has the molecular formula C10H17O4P-2 and a molecular weight of 232.22 g/mol. Its IUPAC name is [(2E)-3,7-dimethylocta-2,6-dienyl] phosphate.

Molecular Properties

Compound Name[(2E)-3,7-dimethylocta-2,6-dienyl] phosphate
PubChem CID52940120
Molecular FormulaC10H17O4P-2
Molecular Weight232.22 g/mol
Exact Mass232.09
IUPAC Name[(2E)-3,7-dimethylocta-2,6-dienyl] phosphate
SMILESCC(C)=CCC/C(C)=C/COP(=O)([O-])[O-]
InChIInChI=1S/C10H19O4P/c1-9(2)5-4-6-10(3)7-8-14-15(11,12)13/h5,7H,4,6,8H2,1-3H3,(H2,11,12,13)/p-2/b10-7+
InChIKeyFFOWJDCTFSWUMJ-JXMROGBWSA-L
XLogP1.52
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 51.52
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)-3,7-dimethylocta-2,6-dienyl] phosphate?
The IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienyl] phosphate (CID 52940120) is [(2E)-3,7-dimethylocta-2,6-dienyl] phosphate.
What is the SMILES notation for [(2E)-3,7-dimethylocta-2,6-dienyl] phosphate?
The canonical SMILES for [(2E)-3,7-dimethylocta-2,6-dienyl] phosphate is CC(C)=CCC/C(C)=C/COP(=O)([O-])[O-].
What is the InChIKey of [(2E)-3,7-dimethylocta-2,6-dienyl] phosphate?
The InChIKey is FFOWJDCTFSWUMJ-JXMROGBWSA-L. The full InChI is InChI=1S/C10H19O4P/c1-9(2)5-4-6-10(3)7-8-14-15(11,12)13/h5,7H,4,6,8H2,1-3H3,(H2,11,12,13)/p-2/b10-7+.
What are the key properties of [(2E)-3,7-dimethylocta-2,6-dienyl] phosphate?
[(2E)-3,7-dimethylocta-2,6-dienyl] phosphate has a molecular weight of 232.22 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-3,7-dimethylocta-2,6-dienyl] phosphate is sourced from PubChem (CID 52940120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).