2-[(Z)-11-diphenylphosphorylundec-7-enoxy]oxane

C28H39O3P — CID 12790960

IUPAC2-[(Z)-11-diphenylphosphorylundec-7-enoxy]oxane
SMILESO=P(CCC/C=C\CCCCCCOC1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H39O3P/c29-32(26-18-10-8-11-19-26,27-20-12-9-13-21-27)25-17-7-5-3-1-2-4-6-15-23-30-28-22-14-16-24-31-28/h3,5,8-13,18-21,28H,1-2,4,6-7,14-17,22-25H2/b5-3-
InChIKeyPFVVTRNQDCHSBL-HYXAFXHYSA-N
MW454.59 g/mol
LogP6.83
Rot. Bonds14

About 2-[(Z)-11-diphenylphosphorylundec-7-enoxy]oxane

2-[(Z)-11-diphenylphosphorylundec-7-enoxy]oxane (PubChem CID 12790960) has the molecular formula C28H39O3P and a molecular weight of 454.59 g/mol. Its IUPAC name is 2-[(Z)-11-diphenylphosphorylundec-7-enoxy]oxane.

Molecular Properties

Compound Name2-[(Z)-11-diphenylphosphorylundec-7-enoxy]oxane
PubChem CID12790960
Molecular FormulaC28H39O3P
Molecular Weight454.59 g/mol
Exact Mass454.26
IUPAC Name2-[(Z)-11-diphenylphosphorylundec-7-enoxy]oxane
SMILESO=P(CCC/C=C\CCCCCCOC1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H39O3P/c29-32(26-18-10-8-11-19-26,27-20-12-9-13-21-27)25-17-7-5-3-1-2-4-6-15-23-30-28-22-14-16-24-31-28/h3,5,8-13,18-21,28H,1-2,4,6-7,14-17,22-25H2/b5-3-
InChIKeyPFVVTRNQDCHSBL-HYXAFXHYSA-N
XLogP6.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.59
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

2-[(Z)-7-diphenylphosphorylhept-3-enoxy]oxane
CID 70565788
11-(oxan-2-yloxy)undec-4-enyl-triphenylphosphanium iodide
CID 175312543
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037
(5Z,14Z)-19-(oxan-2-yloxy)nonadeca-5,14-dien-1-ol
CID 153316547
(E)-14-(oxan-2-yloxy)tetradec-2-enoic acid
CID 71244577
2-[(9E)-dodeca-9,11-dienoxy]oxane
CID 10934423
2-[(E)-dec-3-enoxy]oxane
CID 15649194
2-[(Z)-6-(oxan-2-yloxy)hex-1-enyl]pyridine
CID 10355306
2-[(E)-11-iodoundec-10-enoxy]oxane
CID 11280429
(6Z,9E)-12-(oxan-2-yloxy)dodeca-6,9-dien-1-ol
CID 70506066
3-[(Z)-9-(oxan-2-yloxy)non-3-enyl]pyridine
CID 10851984

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-11-diphenylphosphorylundec-7-enoxy]oxane?
The IUPAC name of 2-[(Z)-11-diphenylphosphorylundec-7-enoxy]oxane (CID 12790960) is 2-[(Z)-11-diphenylphosphorylundec-7-enoxy]oxane.
What is the SMILES notation for 2-[(Z)-11-diphenylphosphorylundec-7-enoxy]oxane?
The canonical SMILES for 2-[(Z)-11-diphenylphosphorylundec-7-enoxy]oxane is O=P(CCC/C=C\CCCCCCOC1CCCCO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(Z)-11-diphenylphosphorylundec-7-enoxy]oxane?
The InChIKey is PFVVTRNQDCHSBL-HYXAFXHYSA-N. The full InChI is InChI=1S/C28H39O3P/c29-32(26-18-10-8-11-19-26,27-20-12-9-13-21-27)25-17-7-5-3-1-2-4-6-15-23-30-28-22-14-16-24-31-28/h3,5,8-13,18-21,28H,1-2,4,6-7,14-17,22-25H2/b5-3-.
What are the key properties of 2-[(Z)-11-diphenylphosphorylundec-7-enoxy]oxane?
2-[(Z)-11-diphenylphosphorylundec-7-enoxy]oxane has a molecular weight of 454.59 g/mol, XLogP of 6.83, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-11-diphenylphosphorylundec-7-enoxy]oxane is sourced from PubChem (CID 12790960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).