[[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enoxy]-oxidophosphoryl] phosphate

C10H17O7P2-3 — CID 25203125

IUPAC[[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enoxy]-oxidophosphoryl] phosphate
SMILESC=C(C)[C@@H](CC=C(C)C)COP(=O)([O-])OP(=O)([O-])[O-]
InChIInChI=1S/C10H20O7P2/c1-8(2)5-6-10(9(3)4)7-16-19(14,15)17-18(11,12)13/h5,10H,3,6-7H2,1-2,4H3,(H,14,15)(H2,11,12,13)/p-3/t10-/m0/s1
InChIKeyLHLLBECTIHFNGQ-JTQLQIEISA-K
MW311.19 g/mol
LogP0.87
Rot. Bonds8

About [[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enoxy]-oxidophosphoryl] phosphate

[[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enoxy]-oxidophosphoryl] phosphate (PubChem CID 25203125) has the molecular formula C10H17O7P2-3 and a molecular weight of 311.19 g/mol. Its IUPAC name is [[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enoxy]-oxidophosphoryl] phosphate.

Molecular Properties

Compound Name[[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enoxy]-oxidophosphoryl] phosphate
PubChem CID25203125
Molecular FormulaC10H17O7P2-3
Molecular Weight311.19 g/mol
Exact Mass311.05
IUPAC Name[[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enoxy]-oxidophosphoryl] phosphate
SMILESC=C(C)[C@@H](CC=C(C)C)COP(=O)([O-])OP(=O)([O-])[O-]
InChIInChI=1S/C10H20O7P2/c1-8(2)5-6-10(9(3)4)7-16-19(14,15)17-18(11,12)13/h5,10H,3,6-7H2,1-2,4H3,(H,14,15)(H2,11,12,13)/p-3/t10-/m0/s1
InChIKeyLHLLBECTIHFNGQ-JTQLQIEISA-K
XLogP0.87
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 ≤ 50.87
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 [[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enoxy]-oxidophosphoryl] phosphate?
The IUPAC name of [[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enoxy]-oxidophosphoryl] phosphate (CID 25203125) is [[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enoxy]-oxidophosphoryl] phosphate.
What is the SMILES notation for [[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enoxy]-oxidophosphoryl] phosphate?
The canonical SMILES for [[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enoxy]-oxidophosphoryl] phosphate is C=C(C)[C@@H](CC=C(C)C)COP(=O)([O-])OP(=O)([O-])[O-].
What is the InChIKey of [[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enoxy]-oxidophosphoryl] phosphate?
The InChIKey is LHLLBECTIHFNGQ-JTQLQIEISA-K. The full InChI is InChI=1S/C10H20O7P2/c1-8(2)5-6-10(9(3)4)7-16-19(14,15)17-18(11,12)13/h5,10H,3,6-7H2,1-2,4H3,(H,14,15)(H2,11,12,13)/p-3/t10-/m0/s1.
What are the key properties of [[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enoxy]-oxidophosphoryl] phosphate?
[[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enoxy]-oxidophosphoryl] phosphate has a molecular weight of 311.19 g/mol, XLogP of 0.87, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enoxy]-oxidophosphoryl] phosphate is sourced from PubChem (CID 25203125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).