[(4E)-5,9-dimethyl-1-phosphonodeca-4,8-dienyl]phosphonic acid

C12H24O6P2 — CID 10042032

IUPAC[(4E)-5,9-dimethyl-1-phosphonodeca-4,8-dienyl]phosphonic acid
SMILESCC(C)=CCC/C(C)=C/CCC(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C12H24O6P2/c1-10(2)6-4-7-11(3)8-5-9-12(19(13,14)15)20(16,17)18/h6,8,12H,4-5,7,9H2,1-3H3,(H2,13,14,15)(H2,16,17,18)/b11-8+
InChIKeyFGZUXOITCHCUOX-DHZHZOJOSA-N
MW326.27 g/mol
LogP3.14
Rot. Bonds8

About [(4E)-5,9-dimethyl-1-phosphonodeca-4,8-dienyl]phosphonic acid

[(4E)-5,9-dimethyl-1-phosphonodeca-4,8-dienyl]phosphonic acid (PubChem CID 10042032) has the molecular formula C12H24O6P2 and a molecular weight of 326.27 g/mol. Its IUPAC name is [(4E)-5,9-dimethyl-1-phosphonodeca-4,8-dienyl]phosphonic acid.

Molecular Properties

Compound Name[(4E)-5,9-dimethyl-1-phosphonodeca-4,8-dienyl]phosphonic acid
PubChem CID10042032
Molecular FormulaC12H24O6P2
Molecular Weight326.27 g/mol
Exact Mass326.10
IUPAC Name[(4E)-5,9-dimethyl-1-phosphonodeca-4,8-dienyl]phosphonic acid
SMILESCC(C)=CCC/C(C)=C/CCC(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C12H24O6P2/c1-10(2)6-4-7-11(3)8-5-9-12(19(13,14)15)20(16,17)18/h6,8,12H,4-5,7,9H2,1-3H3,(H2,13,14,15)(H2,16,17,18)/b11-8+
InChIKeyFGZUXOITCHCUOX-DHZHZOJOSA-N
XLogP3.14
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 53.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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 [(4E)-5,9-dimethyl-1-phosphonodeca-4,8-dienyl]phosphonic acid?
The IUPAC name of [(4E)-5,9-dimethyl-1-phosphonodeca-4,8-dienyl]phosphonic acid (CID 10042032) is [(4E)-5,9-dimethyl-1-phosphonodeca-4,8-dienyl]phosphonic acid.
What is the SMILES notation for [(4E)-5,9-dimethyl-1-phosphonodeca-4,8-dienyl]phosphonic acid?
The canonical SMILES for [(4E)-5,9-dimethyl-1-phosphonodeca-4,8-dienyl]phosphonic acid is CC(C)=CCC/C(C)=C/CCC(P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of [(4E)-5,9-dimethyl-1-phosphonodeca-4,8-dienyl]phosphonic acid?
The InChIKey is FGZUXOITCHCUOX-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H24O6P2/c1-10(2)6-4-7-11(3)8-5-9-12(19(13,14)15)20(16,17)18/h6,8,12H,4-5,7,9H2,1-3H3,(H2,13,14,15)(H2,16,17,18)/b11-8+.
What are the key properties of [(4E)-5,9-dimethyl-1-phosphonodeca-4,8-dienyl]phosphonic acid?
[(4E)-5,9-dimethyl-1-phosphonodeca-4,8-dienyl]phosphonic acid has a molecular weight of 326.27 g/mol, XLogP of 3.14, 8 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-5,9-dimethyl-1-phosphonodeca-4,8-dienyl]phosphonic acid is sourced from PubChem (CID 10042032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).