[(E)-dodec-9-enyl] dihydrogen phosphate

C12H25O4P — CID 11219269

IUPAC[(E)-dodec-9-enyl] dihydrogen phosphate
SMILESCC/C=C/CCCCCCCCOP(=O)(O)O
InChIInChI=1S/C12H25O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h3-4H,2,5-12H2,1H3,(H2,13,14,15)/b4-3+
InChIKeyFSJUVXSBVQARLY-ONEGZZNKSA-N
MW264.30 g/mol
LogP3.79
Rot. Bonds11

About [(E)-dodec-9-enyl] dihydrogen phosphate

[(E)-dodec-9-enyl] dihydrogen phosphate (PubChem CID 11219269) has the molecular formula C12H25O4P and a molecular weight of 264.30 g/mol. Its IUPAC name is [(E)-dodec-9-enyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(E)-dodec-9-enyl] dihydrogen phosphate
PubChem CID11219269
Molecular FormulaC12H25O4P
Molecular Weight264.30 g/mol
Exact Mass264.15
IUPAC Name[(E)-dodec-9-enyl] dihydrogen phosphate
SMILESCC/C=C/CCCCCCCCOP(=O)(O)O
InChIInChI=1S/C12H25O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h3-4H,2,5-12H2,1H3,(H2,13,14,15)/b4-3+
InChIKeyFSJUVXSBVQARLY-ONEGZZNKSA-N
XLogP3.79
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-9-enyl] dihydrogen phosphate?
The IUPAC name of [(E)-dodec-9-enyl] dihydrogen phosphate (CID 11219269) is [(E)-dodec-9-enyl] dihydrogen phosphate.
What is the SMILES notation for [(E)-dodec-9-enyl] dihydrogen phosphate?
The canonical SMILES for [(E)-dodec-9-enyl] dihydrogen phosphate is CC/C=C/CCCCCCCCOP(=O)(O)O.
What is the InChIKey of [(E)-dodec-9-enyl] dihydrogen phosphate?
The InChIKey is FSJUVXSBVQARLY-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H25O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h3-4H,2,5-12H2,1H3,(H2,13,14,15)/b4-3+.
What are the key properties of [(E)-dodec-9-enyl] dihydrogen phosphate?
[(E)-dodec-9-enyl] dihydrogen phosphate has a molecular weight of 264.30 g/mol, XLogP of 3.79, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dodec-9-enyl] dihydrogen phosphate is sourced from PubChem (CID 11219269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).