[(3E,5Z)-2,4-dimethylocta-3,5-dienoxy]-trihydroxyphosphanium

C10H20O4P+ — CID 88888127

IUPAC[(3E,5Z)-2,4-dimethylocta-3,5-dienoxy]-trihydroxyphosphanium
SMILESCC/C=C\C(C)=C\C(C)CO[P+](O)(O)O
InChIInChI=1S/C10H20O4P/c1-4-5-6-9(2)7-10(3)8-14-15(11,12)13/h5-7,10-13H,4,8H2,1-3H3/q+1/b6-5-,9-7+
InChIKeyUQRYAMJPWLFKDQ-BZWSEGBZSA-N
MW235.24 g/mol
LogP2.21
Rot. Bonds6

About [(3E,5Z)-2,4-dimethylocta-3,5-dienoxy]-trihydroxyphosphanium

[(3E,5Z)-2,4-dimethylocta-3,5-dienoxy]-trihydroxyphosphanium (PubChem CID 88888127) has the molecular formula C10H20O4P+ and a molecular weight of 235.24 g/mol. Its IUPAC name is [(3E,5Z)-2,4-dimethylocta-3,5-dienoxy]-trihydroxyphosphanium.

Molecular Properties

Compound Name[(3E,5Z)-2,4-dimethylocta-3,5-dienoxy]-trihydroxyphosphanium
PubChem CID88888127
Molecular FormulaC10H20O4P+
Molecular Weight235.24 g/mol
Exact Mass235.11
IUPAC Name[(3E,5Z)-2,4-dimethylocta-3,5-dienoxy]-trihydroxyphosphanium
SMILESCC/C=C\C(C)=C\C(C)CO[P+](O)(O)O
InChIInChI=1S/C10H20O4P/c1-4-5-6-9(2)7-10(3)8-14-15(11,12)13/h5-7,10-13H,4,8H2,1-3H3/q+1/b6-5-,9-7+
InChIKeyUQRYAMJPWLFKDQ-BZWSEGBZSA-N
XLogP2.21
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-2,4-dimethylocta-3,5-dienoxy]-trihydroxyphosphanium?
The IUPAC name of [(3E,5Z)-2,4-dimethylocta-3,5-dienoxy]-trihydroxyphosphanium (CID 88888127) is [(3E,5Z)-2,4-dimethylocta-3,5-dienoxy]-trihydroxyphosphanium.
What is the SMILES notation for [(3E,5Z)-2,4-dimethylocta-3,5-dienoxy]-trihydroxyphosphanium?
The canonical SMILES for [(3E,5Z)-2,4-dimethylocta-3,5-dienoxy]-trihydroxyphosphanium is CC/C=C\C(C)=C\C(C)CO[P+](O)(O)O.
What is the InChIKey of [(3E,5Z)-2,4-dimethylocta-3,5-dienoxy]-trihydroxyphosphanium?
The InChIKey is UQRYAMJPWLFKDQ-BZWSEGBZSA-N. The full InChI is InChI=1S/C10H20O4P/c1-4-5-6-9(2)7-10(3)8-14-15(11,12)13/h5-7,10-13H,4,8H2,1-3H3/q+1/b6-5-,9-7+.
What are the key properties of [(3E,5Z)-2,4-dimethylocta-3,5-dienoxy]-trihydroxyphosphanium?
[(3E,5Z)-2,4-dimethylocta-3,5-dienoxy]-trihydroxyphosphanium has a molecular weight of 235.24 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-2,4-dimethylocta-3,5-dienoxy]-trihydroxyphosphanium is sourced from PubChem (CID 88888127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).