[(5E)-6,10-dimethyl-1-phosphonoundeca-5,9-dienyl]-hydroxy-oxophosphanium

C13H25O5P2+ — CID 10087599

IUPAC[(5E)-6,10-dimethyl-1-phosphonoundeca-5,9-dienyl]-hydroxy-oxophosphanium
SMILESCC(C)=CCC/C(C)=C/CCCC([P+](=O)O)P(=O)(O)O
InChIInChI=1S/C13H24O5P2/c1-11(2)7-6-9-12(3)8-4-5-10-13(19(14)15)20(16,17)18/h7-8,13H,4-6,9-10H2,1-3H3,(H2-,14,15,16,17,18)/p+1/b12-8+
InChIKeyRFZXHEWLORMBEF-XYOKQWHBSA-O
MW323.29 g/mol
LogP4.09
Rot. Bonds9

About [(5E)-6,10-dimethyl-1-phosphonoundeca-5,9-dienyl]-hydroxy-oxophosphanium

[(5E)-6,10-dimethyl-1-phosphonoundeca-5,9-dienyl]-hydroxy-oxophosphanium (PubChem CID 10087599) has the molecular formula C13H25O5P2+ and a molecular weight of 323.29 g/mol. Its IUPAC name is [(5E)-6,10-dimethyl-1-phosphonoundeca-5,9-dienyl]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(5E)-6,10-dimethyl-1-phosphonoundeca-5,9-dienyl]-hydroxy-oxophosphanium
PubChem CID10087599
Molecular FormulaC13H25O5P2+
Molecular Weight323.29 g/mol
Exact Mass323.12
IUPAC Name[(5E)-6,10-dimethyl-1-phosphonoundeca-5,9-dienyl]-hydroxy-oxophosphanium
SMILESCC(C)=CCC/C(C)=C/CCCC([P+](=O)O)P(=O)(O)O
InChIInChI=1S/C13H24O5P2/c1-11(2)7-6-9-12(3)8-4-5-10-13(19(14)15)20(16,17)18/h7-8,13H,4-6,9-10H2,1-3H3,(H2-,14,15,16,17,18)/p+1/b12-8+
InChIKeyRFZXHEWLORMBEF-XYOKQWHBSA-O
XLogP4.09
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [(5E)-6,10-dimethyl-1-phosphonoundeca-5,9-dienyl]-hydroxy-oxophosphanium?
The IUPAC name of [(5E)-6,10-dimethyl-1-phosphonoundeca-5,9-dienyl]-hydroxy-oxophosphanium (CID 10087599) is [(5E)-6,10-dimethyl-1-phosphonoundeca-5,9-dienyl]-hydroxy-oxophosphanium.
What is the SMILES notation for [(5E)-6,10-dimethyl-1-phosphonoundeca-5,9-dienyl]-hydroxy-oxophosphanium?
The canonical SMILES for [(5E)-6,10-dimethyl-1-phosphonoundeca-5,9-dienyl]-hydroxy-oxophosphanium is CC(C)=CCC/C(C)=C/CCCC([P+](=O)O)P(=O)(O)O.
What is the InChIKey of [(5E)-6,10-dimethyl-1-phosphonoundeca-5,9-dienyl]-hydroxy-oxophosphanium?
The InChIKey is RFZXHEWLORMBEF-XYOKQWHBSA-O. The full InChI is InChI=1S/C13H24O5P2/c1-11(2)7-6-9-12(3)8-4-5-10-13(19(14)15)20(16,17)18/h7-8,13H,4-6,9-10H2,1-3H3,(H2-,14,15,16,17,18)/p+1/b12-8+.
What are the key properties of [(5E)-6,10-dimethyl-1-phosphonoundeca-5,9-dienyl]-hydroxy-oxophosphanium?
[(5E)-6,10-dimethyl-1-phosphonoundeca-5,9-dienyl]-hydroxy-oxophosphanium has a molecular weight of 323.29 g/mol, XLogP of 4.09, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E)-6,10-dimethyl-1-phosphonoundeca-5,9-dienyl]-hydroxy-oxophosphanium is sourced from PubChem (CID 10087599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).