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

C10H17O7P2-3 — CID 19379894

IUPAC[[(2E)-3,7-dimethylocta-2,6-dienoxy]-oxidophosphoryl] phosphate
SMILESCC(C)=CCC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]
InChIInChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/p-3/b10-7+
InChIKeyGVVPGTZRZFNKDS-JXMROGBWSA-K
MW311.19 g/mol
LogP1.01
Rot. Bonds8

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

[[(2E)-3,7-dimethylocta-2,6-dienoxy]-oxidophosphoryl] phosphate (PubChem CID 19379894) has the molecular formula C10H17O7P2-3 and a molecular weight of 311.19 g/mol. Its IUPAC name is [[(2E)-3,7-dimethylocta-2,6-dienoxy]-oxidophosphoryl] phosphate.

Molecular Properties

Compound Name[[(2E)-3,7-dimethylocta-2,6-dienoxy]-oxidophosphoryl] phosphate
PubChem CID19379894
Molecular FormulaC10H17O7P2-3
Molecular Weight311.19 g/mol
Exact Mass311.05
IUPAC Name[[(2E)-3,7-dimethylocta-2,6-dienoxy]-oxidophosphoryl] phosphate
SMILESCC(C)=CCC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]
InChIInChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/p-3/b10-7+
InChIKeyGVVPGTZRZFNKDS-JXMROGBWSA-K
XLogP1.01
TPSA121.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 51.01
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 [[(2E)-3,7-dimethylocta-2,6-dienoxy]-oxidophosphoryl] phosphate?
The IUPAC name of [[(2E)-3,7-dimethylocta-2,6-dienoxy]-oxidophosphoryl] phosphate (CID 19379894) is [[(2E)-3,7-dimethylocta-2,6-dienoxy]-oxidophosphoryl] phosphate.
What is the SMILES notation for [[(2E)-3,7-dimethylocta-2,6-dienoxy]-oxidophosphoryl] phosphate?
The canonical SMILES for [[(2E)-3,7-dimethylocta-2,6-dienoxy]-oxidophosphoryl] phosphate is CC(C)=CCC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-].
What is the InChIKey of [[(2E)-3,7-dimethylocta-2,6-dienoxy]-oxidophosphoryl] phosphate?
The InChIKey is GVVPGTZRZFNKDS-JXMROGBWSA-K. The full InChI is InChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/p-3/b10-7+.
What are the key properties of [[(2E)-3,7-dimethylocta-2,6-dienoxy]-oxidophosphoryl] phosphate?
[[(2E)-3,7-dimethylocta-2,6-dienoxy]-oxidophosphoryl] phosphate has a molecular weight of 311.19 g/mol, XLogP of 1.01, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2E)-3,7-dimethylocta-2,6-dienoxy]-oxidophosphoryl] phosphate is sourced from PubChem (CID 19379894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).