[(E)-dodec-5-enyl]phosphonic acid

C12H25O3P — CID 16747447

IUPAC[(E)-dodec-5-enyl]phosphonic acid
SMILESCCCCCC/C=C/CCCCP(=O)(O)O
InChIInChI=1S/C12H25O3P/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h7-8H,2-6,9-12H2,1H3,(H2,13,14,15)/b8-7+
InChIKeyKYGWQXBGGNEZMD-BQYQJAHWSA-N
MW248.30 g/mol
LogP3.86
Rot. Bonds10

About [(E)-dodec-5-enyl]phosphonic acid

[(E)-dodec-5-enyl]phosphonic acid (PubChem CID 16747447) has the molecular formula C12H25O3P and a molecular weight of 248.30 g/mol. Its IUPAC name is [(E)-dodec-5-enyl]phosphonic acid.

Molecular Properties

Compound Name[(E)-dodec-5-enyl]phosphonic acid
PubChem CID16747447
Molecular FormulaC12H25O3P
Molecular Weight248.30 g/mol
Exact Mass248.15
IUPAC Name[(E)-dodec-5-enyl]phosphonic acid
SMILESCCCCCC/C=C/CCCCP(=O)(O)O
InChIInChI=1S/C12H25O3P/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h7-8H,2-6,9-12H2,1H3,(H2,13,14,15)/b8-7+
InChIKeyKYGWQXBGGNEZMD-BQYQJAHWSA-N
XLogP3.86
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [(E)-dodec-5-enyl]phosphonic acid?
The IUPAC name of [(E)-dodec-5-enyl]phosphonic acid (CID 16747447) is [(E)-dodec-5-enyl]phosphonic acid.
What is the SMILES notation for [(E)-dodec-5-enyl]phosphonic acid?
The canonical SMILES for [(E)-dodec-5-enyl]phosphonic acid is CCCCCC/C=C/CCCCP(=O)(O)O.
What is the InChIKey of [(E)-dodec-5-enyl]phosphonic acid?
The InChIKey is KYGWQXBGGNEZMD-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H25O3P/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h7-8H,2-6,9-12H2,1H3,(H2,13,14,15)/b8-7+.
What are the key properties of [(E)-dodec-5-enyl]phosphonic acid?
[(E)-dodec-5-enyl]phosphonic acid has a molecular weight of 248.30 g/mol, XLogP of 3.86, 10 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dodec-5-enyl]phosphonic acid is sourced from PubChem (CID 16747447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).