2-[(Z)-7-diphenylphosphorylhept-3-enoxy]oxane

C24H31O3P — CID 70565788

IUPAC2-[(Z)-7-diphenylphosphorylhept-3-enoxy]oxane
SMILESO=P(CCC/C=C\CCOC1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31O3P/c25-28(22-14-6-4-7-15-22,23-16-8-5-9-17-23)21-13-3-1-2-11-19-26-24-18-10-12-20-27-24/h1-2,4-9,14-17,24H,3,10-13,18-21H2/b2-1-
InChIKeyPHXHFLTWZVFXRD-UPHRSURJSA-N
MW398.48 g/mol
LogP5.27
Rot. Bonds10

About 2-[(Z)-7-diphenylphosphorylhept-3-enoxy]oxane

2-[(Z)-7-diphenylphosphorylhept-3-enoxy]oxane (PubChem CID 70565788) has the molecular formula C24H31O3P and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-[(Z)-7-diphenylphosphorylhept-3-enoxy]oxane.

Molecular Properties

Compound Name2-[(Z)-7-diphenylphosphorylhept-3-enoxy]oxane
PubChem CID70565788
Molecular FormulaC24H31O3P
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name2-[(Z)-7-diphenylphosphorylhept-3-enoxy]oxane
SMILESO=P(CCC/C=C\CCOC1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31O3P/c25-28(22-14-6-4-7-15-22,23-16-8-5-9-17-23)21-13-3-1-2-11-19-26-24-18-10-12-20-27-24/h1-2,4-9,14-17,24H,3,10-13,18-21H2/b2-1-
InChIKeyPHXHFLTWZVFXRD-UPHRSURJSA-N
XLogP5.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.48
LogP ≤ 55.27
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)-11-diphenylphosphorylundec-7-enoxy]oxane
CID 12790960
11-(oxan-2-yloxy)undec-4-enyl-triphenylphosphanium iodide
CID 175312543
2-[(E)-dec-3-enoxy]oxane
CID 15649194
(6Z,9E)-12-(oxan-2-yloxy)dodeca-6,9-dien-1-ol
CID 70506066
2-[(Z)-6-(oxan-2-yloxy)hex-1-enyl]pyridine
CID 10355306
2-[(Z)-4-iodobut-3-enoxy]oxane
CID 10423866
2-(2-phenoxyethoxy)oxane
CID 11736193
2-[(4Z,7Z)-deca-4,7-dienoxy]oxane
CID 10966579
8-(oxan-2-yloxy)octyl benzoate
CID 11551737
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
7-(oxan-2-yloxy)hept-2-enal
CID 54196488
(5Z,14Z)-19-(oxan-2-yloxy)nonadeca-5,14-dien-1-ol
CID 153316547

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-7-diphenylphosphorylhept-3-enoxy]oxane?
The IUPAC name of 2-[(Z)-7-diphenylphosphorylhept-3-enoxy]oxane (CID 70565788) is 2-[(Z)-7-diphenylphosphorylhept-3-enoxy]oxane.
What is the SMILES notation for 2-[(Z)-7-diphenylphosphorylhept-3-enoxy]oxane?
The canonical SMILES for 2-[(Z)-7-diphenylphosphorylhept-3-enoxy]oxane is O=P(CCC/C=C\CCOC1CCCCO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(Z)-7-diphenylphosphorylhept-3-enoxy]oxane?
The InChIKey is PHXHFLTWZVFXRD-UPHRSURJSA-N. The full InChI is InChI=1S/C24H31O3P/c25-28(22-14-6-4-7-15-22,23-16-8-5-9-17-23)21-13-3-1-2-11-19-26-24-18-10-12-20-27-24/h1-2,4-9,14-17,24H,3,10-13,18-21H2/b2-1-.
What are the key properties of 2-[(Z)-7-diphenylphosphorylhept-3-enoxy]oxane?
2-[(Z)-7-diphenylphosphorylhept-3-enoxy]oxane has a molecular weight of 398.48 g/mol, XLogP of 5.27, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-7-diphenylphosphorylhept-3-enoxy]oxane is sourced from PubChem (CID 70565788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).