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

C11H20O6P2 — CID 10018240

IUPAC[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-phosphonooxyphosphinic acid
SMILESCC(C)=CCC/C(C)=C/C=C/P(=O)(O)OP(=O)(O)O
InChIInChI=1S/C11H20O6P2/c1-10(2)6-4-7-11(3)8-5-9-18(12,13)17-19(14,15)16/h5-6,8-9H,4,7H2,1-3H3,(H,12,13)(H2,14,15,16)/b9-5+,11-8+
InChIKeyDNXAQKFAAYIAMW-NBBRJXQPSA-N
MW310.22 g/mol
LogP3.49
Rot. Bonds7

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

[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-phosphonooxyphosphinic acid (PubChem CID 10018240) has the molecular formula C11H20O6P2 and a molecular weight of 310.22 g/mol. Its IUPAC name is [(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-phosphonooxyphosphinic acid.

Molecular Properties

Compound Name[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-phosphonooxyphosphinic acid
PubChem CID10018240
Molecular FormulaC11H20O6P2
Molecular Weight310.22 g/mol
Exact Mass310.07
IUPAC Name[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-phosphonooxyphosphinic acid
SMILESCC(C)=CCC/C(C)=C/C=C/P(=O)(O)OP(=O)(O)O
InChIInChI=1S/C11H20O6P2/c1-10(2)6-4-7-11(3)8-5-9-18(12,13)17-19(14,15)16/h5-6,8-9H,4,7H2,1-3H3,(H,12,13)(H2,14,15,16)/b9-5+,11-8+
InChIKeyDNXAQKFAAYIAMW-NBBRJXQPSA-N
XLogP3.49
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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]-phosphonooxyphosphinic 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]-phosphonooxyphosphinic acid?
The IUPAC name of [(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-phosphonooxyphosphinic acid (CID 10018240) is [(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-phosphonooxyphosphinic acid.
What is the SMILES notation for [(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-phosphonooxyphosphinic acid?
The canonical SMILES for [(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-phosphonooxyphosphinic acid is CC(C)=CCC/C(C)=C/C=C/P(=O)(O)OP(=O)(O)O.
What is the InChIKey of [(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-phosphonooxyphosphinic acid?
The InChIKey is DNXAQKFAAYIAMW-NBBRJXQPSA-N. The full InChI is InChI=1S/C11H20O6P2/c1-10(2)6-4-7-11(3)8-5-9-18(12,13)17-19(14,15)16/h5-6,8-9H,4,7H2,1-3H3,(H,12,13)(H2,14,15,16)/b9-5+,11-8+.
What are the key properties of [(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-phosphonooxyphosphinic acid?
[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-phosphonooxyphosphinic acid has a molecular weight of 310.22 g/mol, XLogP of 3.49, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-phosphonooxyphosphinic acid is sourced from PubChem (CID 10018240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).