[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]phosphonic acid

C11H19O3P — CID 10353790

IUPAC[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]phosphonic acid
SMILESCC(C)=CCC/C(C)=C/C=C/P(=O)(O)O
InChIInChI=1S/C11H19O3P/c1-10(2)6-4-7-11(3)8-5-9-15(12,13)14/h5-6,8-9H,4,7H2,1-3H3,(H2,12,13,14)/b9-5+,11-8+
InChIKeyGKFWFHATKXPDQG-NBBRJXQPSA-N
MW230.24 g/mol
LogP3.37
Rot. Bonds5

About [(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]phosphonic acid

[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]phosphonic acid (PubChem CID 10353790) has the molecular formula C11H19O3P and a molecular weight of 230.24 g/mol. Its IUPAC name is [(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]phosphonic acid.

Molecular Properties

Compound Name[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]phosphonic acid
PubChem CID10353790
Molecular FormulaC11H19O3P
Molecular Weight230.24 g/mol
Exact Mass230.11
IUPAC Name[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]phosphonic acid
SMILESCC(C)=CCC/C(C)=C/C=C/P(=O)(O)O
InChIInChI=1S/C11H19O3P/c1-10(2)6-4-7-11(3)8-5-9-15(12,13)14/h5-6,8-9H,4,7H2,1-3H3,(H2,12,13,14)/b9-5+,11-8+
InChIKeyGKFWFHATKXPDQG-NBBRJXQPSA-N
XLogP3.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 53.37
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]phosphonic acid?
The IUPAC name of [(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]phosphonic acid (CID 10353790) is [(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]phosphonic acid.
What is the SMILES notation for [(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]phosphonic acid?
The canonical SMILES for [(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]phosphonic acid is CC(C)=CCC/C(C)=C/C=C/P(=O)(O)O.
What is the InChIKey of [(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]phosphonic acid?
The InChIKey is GKFWFHATKXPDQG-NBBRJXQPSA-N. The full InChI is InChI=1S/C11H19O3P/c1-10(2)6-4-7-11(3)8-5-9-15(12,13)14/h5-6,8-9H,4,7H2,1-3H3,(H2,12,13,14)/b9-5+,11-8+.
What are the key properties of [(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]phosphonic acid?
[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]phosphonic acid has a molecular weight of 230.24 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]phosphonic acid is sourced from PubChem (CID 10353790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).