dodec-1-en-2-yl diethyl phosphate

C16H33O4P — CID 10958186

IUPACdodec-1-en-2-yl diethyl phosphate
SMILESC=C(CCCCCCCCCC)OP(=O)(OCC)OCC
InChIInChI=1S/C16H33O4P/c1-5-8-9-10-11-12-13-14-15-16(4)20-21(17,18-6-2)19-7-3/h4-15H2,1-3H3
InChIKeyGHXPJDRHQNLWEI-UHFFFAOYSA-N
MW320.41 g/mol
LogP6.23
Rot. Bonds15

About dodec-1-en-2-yl diethyl phosphate

dodec-1-en-2-yl diethyl phosphate (PubChem CID 10958186) has the molecular formula C16H33O4P and a molecular weight of 320.41 g/mol. Its IUPAC name is dodec-1-en-2-yl diethyl phosphate.

Molecular Properties

Compound Namedodec-1-en-2-yl diethyl phosphate
PubChem CID10958186
Molecular FormulaC16H33O4P
Molecular Weight320.41 g/mol
Exact Mass320.21
IUPAC Namedodec-1-en-2-yl diethyl phosphate
SMILESC=C(CCCCCCCCCC)OP(=O)(OCC)OCC
InChIInChI=1S/C16H33O4P/c1-5-8-9-10-11-12-13-14-15-16(4)20-21(17,18-6-2)19-7-3/h4-15H2,1-3H3
InChIKeyGHXPJDRHQNLWEI-UHFFFAOYSA-N
XLogP6.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.41
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 dodec-1-en-2-yl diethyl phosphate?
The IUPAC name of dodec-1-en-2-yl diethyl phosphate (CID 10958186) is dodec-1-en-2-yl diethyl phosphate.
What is the SMILES notation for dodec-1-en-2-yl diethyl phosphate?
The canonical SMILES for dodec-1-en-2-yl diethyl phosphate is C=C(CCCCCCCCCC)OP(=O)(OCC)OCC.
What is the InChIKey of dodec-1-en-2-yl diethyl phosphate?
The InChIKey is GHXPJDRHQNLWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33O4P/c1-5-8-9-10-11-12-13-14-15-16(4)20-21(17,18-6-2)19-7-3/h4-15H2,1-3H3.
What are the key properties of dodec-1-en-2-yl diethyl phosphate?
dodec-1-en-2-yl diethyl phosphate has a molecular weight of 320.41 g/mol, XLogP of 6.23, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-1-en-2-yl diethyl phosphate is sourced from PubChem (CID 10958186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).