(E)-1-[methoxy(propan-2-yloxy)phosphoryl]dodec-1-ene

C16H33O3P — CID 20520434

IUPAC(E)-1-[methoxy(propan-2-yloxy)phosphoryl]dodec-1-ene
SMILESCCCCCCCCCC/C=C/P(=O)(OC)OC(C)C
InChIInChI=1S/C16H33O3P/c1-5-6-7-8-9-10-11-12-13-14-15-20(17,18-4)19-16(2)3/h14-16H,5-13H2,1-4H3/b15-14+
InChIKeyJJGXSBRJJYMFLW-CCEZHUSRSA-N
MW304.41 g/mol
LogP6.30
Rot. Bonds13

About (E)-1-[methoxy(propan-2-yloxy)phosphoryl]dodec-1-ene

(E)-1-[methoxy(propan-2-yloxy)phosphoryl]dodec-1-ene (PubChem CID 20520434) has the molecular formula C16H33O3P and a molecular weight of 304.41 g/mol. Its IUPAC name is (E)-1-[methoxy(propan-2-yloxy)phosphoryl]dodec-1-ene.

Molecular Properties

Compound Name(E)-1-[methoxy(propan-2-yloxy)phosphoryl]dodec-1-ene
PubChem CID20520434
Molecular FormulaC16H33O3P
Molecular Weight304.41 g/mol
Exact Mass304.22
IUPAC Name(E)-1-[methoxy(propan-2-yloxy)phosphoryl]dodec-1-ene
SMILESCCCCCCCCCC/C=C/P(=O)(OC)OC(C)C
InChIInChI=1S/C16H33O3P/c1-5-6-7-8-9-10-11-12-13-14-15-20(17,18-4)19-16(2)3/h14-16H,5-13H2,1-4H3/b15-14+
InChIKeyJJGXSBRJJYMFLW-CCEZHUSRSA-N
XLogP6.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.41
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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)-1-[methoxy(propan-2-yloxy)phosphoryl]dodec-1-ene?
The IUPAC name of (E)-1-[methoxy(propan-2-yloxy)phosphoryl]dodec-1-ene (CID 20520434) is (E)-1-[methoxy(propan-2-yloxy)phosphoryl]dodec-1-ene.
What is the SMILES notation for (E)-1-[methoxy(propan-2-yloxy)phosphoryl]dodec-1-ene?
The canonical SMILES for (E)-1-[methoxy(propan-2-yloxy)phosphoryl]dodec-1-ene is CCCCCCCCCC/C=C/P(=O)(OC)OC(C)C.
What is the InChIKey of (E)-1-[methoxy(propan-2-yloxy)phosphoryl]dodec-1-ene?
The InChIKey is JJGXSBRJJYMFLW-CCEZHUSRSA-N. The full InChI is InChI=1S/C16H33O3P/c1-5-6-7-8-9-10-11-12-13-14-15-20(17,18-4)19-16(2)3/h14-16H,5-13H2,1-4H3/b15-14+.
What are the key properties of (E)-1-[methoxy(propan-2-yloxy)phosphoryl]dodec-1-ene?
(E)-1-[methoxy(propan-2-yloxy)phosphoryl]dodec-1-ene has a molecular weight of 304.41 g/mol, XLogP of 6.30, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[methoxy(propan-2-yloxy)phosphoryl]dodec-1-ene is sourced from PubChem (CID 20520434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).