[(3E)-4,8-dimethylnona-3,7-dienyl]phosphonic acid

C11H21O3P — CID 11458913

IUPAC[(3E)-4,8-dimethylnona-3,7-dienyl]phosphonic acid
SMILESCC(C)=CCC/C(C)=C/CCP(=O)(O)O
InChIInChI=1S/C11H21O3P/c1-10(2)6-4-7-11(3)8-5-9-15(12,13)14/h6,8H,4-5,7,9H2,1-3H3,(H2,12,13,14)/b11-8+
InChIKeyWBTJFOQXJPYXSO-DHZHZOJOSA-N
MW232.26 g/mol
LogP3.25
Rot. Bonds6

About [(3E)-4,8-dimethylnona-3,7-dienyl]phosphonic acid

[(3E)-4,8-dimethylnona-3,7-dienyl]phosphonic acid (PubChem CID 11458913) has the molecular formula C11H21O3P and a molecular weight of 232.26 g/mol. Its IUPAC name is [(3E)-4,8-dimethylnona-3,7-dienyl]phosphonic acid.

Molecular Properties

Compound Name[(3E)-4,8-dimethylnona-3,7-dienyl]phosphonic acid
PubChem CID11458913
Molecular FormulaC11H21O3P
Molecular Weight232.26 g/mol
Exact Mass232.12
IUPAC Name[(3E)-4,8-dimethylnona-3,7-dienyl]phosphonic acid
SMILESCC(C)=CCC/C(C)=C/CCP(=O)(O)O
InChIInChI=1S/C11H21O3P/c1-10(2)6-4-7-11(3)8-5-9-15(12,13)14/h6,8H,4-5,7,9H2,1-3H3,(H2,12,13,14)/b11-8+
InChIKeyWBTJFOQXJPYXSO-DHZHZOJOSA-N
XLogP3.25
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 [(3E)-4,8-dimethylnona-3,7-dienyl]phosphonic acid?
The IUPAC name of [(3E)-4,8-dimethylnona-3,7-dienyl]phosphonic acid (CID 11458913) is [(3E)-4,8-dimethylnona-3,7-dienyl]phosphonic acid.
What is the SMILES notation for [(3E)-4,8-dimethylnona-3,7-dienyl]phosphonic acid?
The canonical SMILES for [(3E)-4,8-dimethylnona-3,7-dienyl]phosphonic acid is CC(C)=CCC/C(C)=C/CCP(=O)(O)O.
What is the InChIKey of [(3E)-4,8-dimethylnona-3,7-dienyl]phosphonic acid?
The InChIKey is WBTJFOQXJPYXSO-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H21O3P/c1-10(2)6-4-7-11(3)8-5-9-15(12,13)14/h6,8H,4-5,7,9H2,1-3H3,(H2,12,13,14)/b11-8+.
What are the key properties of [(3E)-4,8-dimethylnona-3,7-dienyl]phosphonic acid?
[(3E)-4,8-dimethylnona-3,7-dienyl]phosphonic acid has a molecular weight of 232.26 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-4,8-dimethylnona-3,7-dienyl]phosphonic acid is sourced from PubChem (CID 11458913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).