[(E)-dodec-1-enyl] dihydrogen phosphate

C12H25O4P — CID 19800832

IUPAC[(E)-dodec-1-enyl] dihydrogen phosphate
SMILESCCCCCCCCCC/C=C/OP(=O)(O)O
InChIInChI=1S/C12H25O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h11-12H,2-10H2,1H3,(H2,13,14,15)/b12-11+
InChIKeyHMJNELDISCGFCM-VAWYXSNFSA-N
MW264.30 g/mol
LogP4.14
Rot. Bonds11

About [(E)-dodec-1-enyl] dihydrogen phosphate

[(E)-dodec-1-enyl] dihydrogen phosphate (PubChem CID 19800832) has the molecular formula C12H25O4P and a molecular weight of 264.30 g/mol. Its IUPAC name is [(E)-dodec-1-enyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(E)-dodec-1-enyl] dihydrogen phosphate
PubChem CID19800832
Molecular FormulaC12H25O4P
Molecular Weight264.30 g/mol
Exact Mass264.15
IUPAC Name[(E)-dodec-1-enyl] dihydrogen phosphate
SMILESCCCCCCCCCC/C=C/OP(=O)(O)O
InChIInChI=1S/C12H25O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h11-12H,2-10H2,1H3,(H2,13,14,15)/b12-11+
InChIKeyHMJNELDISCGFCM-VAWYXSNFSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-dodec-1-enyl] dihydrogen phosphate?
The IUPAC name of [(E)-dodec-1-enyl] dihydrogen phosphate (CID 19800832) is [(E)-dodec-1-enyl] dihydrogen phosphate.
What is the SMILES notation for [(E)-dodec-1-enyl] dihydrogen phosphate?
The canonical SMILES for [(E)-dodec-1-enyl] dihydrogen phosphate is CCCCCCCCCC/C=C/OP(=O)(O)O.
What is the InChIKey of [(E)-dodec-1-enyl] dihydrogen phosphate?
The InChIKey is HMJNELDISCGFCM-VAWYXSNFSA-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/h11-12H,2-10H2,1H3,(H2,13,14,15)/b12-11+.
What are the key properties of [(E)-dodec-1-enyl] dihydrogen phosphate?
[(E)-dodec-1-enyl] dihydrogen phosphate has a molecular weight of 264.30 g/mol, XLogP of 4.14, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dodec-1-enyl] dihydrogen phosphate is sourced from PubChem (CID 19800832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).