phosphanyl(9-phosphanyloxydocosa-3,6,10,12,15-pentaen-2-yloxy)phosphane

C22H39O2P3 — CID 146899423

IUPACphosphanyl(9-phosphanyloxydocosa-3,6,10,12,15-pentaen-2-yloxy)phosphane
SMILESCCCCCCC=CCC=CC=CC(CC=CCC=CC(C)OPP)OP
InChIInChI=1S/C22H39O2P3/c1-3-4-5-6-7-8-9-10-11-12-16-19-22(23-25)20-17-14-13-15-18-21(2)24-27-26/h8-9,11-12,14-19,21-22,27H,3-7,10,13,20,25-26H2,1-2H3
InChIKeyGJAQRJAPDKHXFF-UHFFFAOYSA-N
MW428.47 g/mol
LogP7.87
Rot. Bonds17

About phosphanyl(9-phosphanyloxydocosa-3,6,10,12,15-pentaen-2-yloxy)phosphane

phosphanyl(9-phosphanyloxydocosa-3,6,10,12,15-pentaen-2-yloxy)phosphane (PubChem CID 146899423) has the molecular formula C22H39O2P3 and a molecular weight of 428.47 g/mol. Its IUPAC name is phosphanyl(9-phosphanyloxydocosa-3,6,10,12,15-pentaen-2-yloxy)phosphane.

Molecular Properties

Compound Namephosphanyl(9-phosphanyloxydocosa-3,6,10,12,15-pentaen-2-yloxy)phosphane
PubChem CID146899423
Molecular FormulaC22H39O2P3
Molecular Weight428.47 g/mol
Exact Mass428.22
IUPAC Namephosphanyl(9-phosphanyloxydocosa-3,6,10,12,15-pentaen-2-yloxy)phosphane
SMILESCCCCCCC=CCC=CC=CC(CC=CCC=CC(C)OPP)OP
InChIInChI=1S/C22H39O2P3/c1-3-4-5-6-7-8-9-10-11-12-16-19-22(23-25)20-17-14-13-15-18-21(2)24-27-26/h8-9,11-12,14-19,21-22,27H,3-7,10,13,20,25-26H2,1-2H3
InChIKeyGJAQRJAPDKHXFF-UHFFFAOYSA-N
XLogP7.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.47
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

phosphanyl-[(3Z,6Z,11E,13E,15Z)-9-phosphanyloxydocosa-3,6,11,13,15-pentaen-2-yl]oxyphosphane
CID 134464383
(1-deca-4,7-dienyl-8-phosphanyloxytetradeca-2,4,6-trienoxy)-phosphanylphosphane
CID 162284336
12-hydroperoxyicosa-5,8,10,14-tetraene
CID 88652466
[(3Z,8E,10E,12Z,15Z)-6-methyldocosa-3,8,10,12,15-pentaen-7-yl]oxyphosphane
CID 121296204
carbonic acid;12-hydroperoxyicosa-5,8,10,14-tetraene
CID 88652465
(4E,7E)-2-methylheptadeca-4,7-diene
CID 177270095
11-(diphosphanyloxy)-18-phosphanyloxytricosa-5,8,12,14,16,20-hexaen-2-one
CID 90985797
(1-deca-4,7-dienyl-8-phosphanyloxytetradeca-2,4,6-trienoxy)-phosphanylphosphane;(2-methyl-1-pent-2-enyl-11-phosphanyloxyheptadeca-3,5,7,9-tetraenoxy)-bis(phosphanyl)phosphane;[(3E,5E,7Z,9E)-2-methyl-1-[(Z)-pent-2-enyl]-11-phosphanyloxyheptadeca-3,5,7,9-tetraenoxy]-bis(phosphanyl)phosphane;[(2E,4E,6Z,8E,12Z)-10-methyl-1-(1-phosphanyloxyheptyl)pentadeca-2,4,6,8,12-pentaenoxy]-phosphanylphosphane;[10-methyl-1-(1-phosphanyloxyheptyl)pentadeca-2,4,6,8,12-pentaenoxy]-phosphanylphosphane;[(2Z,4E,6E)-1-[(2Z,5Z)-octa-2,5-dienyl]-8-phosphanyloxytetradeca-2,4,6-trienoxy]-phosphanylphosphane
CID 162284333
(5Z,8Z,12E,14Z)-11-hydroperoxyicosa-5,8,12,14-tetraenoic acid
CID 5283174
(3Z,7E,9Z,12Z)-octadeca-3,7,9,12-tetraen-6-ol
CID 89023941
2-methylhexadeca-3,5-diene
CID 140995829
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065

Frequently Asked Questions

What is the IUPAC name of phosphanyl(9-phosphanyloxydocosa-3,6,10,12,15-pentaen-2-yloxy)phosphane?
The IUPAC name of phosphanyl(9-phosphanyloxydocosa-3,6,10,12,15-pentaen-2-yloxy)phosphane (CID 146899423) is phosphanyl(9-phosphanyloxydocosa-3,6,10,12,15-pentaen-2-yloxy)phosphane.
What is the SMILES notation for phosphanyl(9-phosphanyloxydocosa-3,6,10,12,15-pentaen-2-yloxy)phosphane?
The canonical SMILES for phosphanyl(9-phosphanyloxydocosa-3,6,10,12,15-pentaen-2-yloxy)phosphane is CCCCCCC=CCC=CC=CC(CC=CCC=CC(C)OPP)OP.
What is the InChIKey of phosphanyl(9-phosphanyloxydocosa-3,6,10,12,15-pentaen-2-yloxy)phosphane?
The InChIKey is GJAQRJAPDKHXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39O2P3/c1-3-4-5-6-7-8-9-10-11-12-16-19-22(23-25)20-17-14-13-15-18-21(2)24-27-26/h8-9,11-12,14-19,21-22,27H,3-7,10,13,20,25-26H2,1-2H3.
What are the key properties of phosphanyl(9-phosphanyloxydocosa-3,6,10,12,15-pentaen-2-yloxy)phosphane?
phosphanyl(9-phosphanyloxydocosa-3,6,10,12,15-pentaen-2-yloxy)phosphane has a molecular weight of 428.47 g/mol, XLogP of 7.87, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl(9-phosphanyloxydocosa-3,6,10,12,15-pentaen-2-yloxy)phosphane is sourced from PubChem (CID 146899423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).