[(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-phosphanylphosphane

C25H44OP2 — CID 90224835

IUPAC[(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-phosphanylphosphane
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C\COPP
InChIInChI=1S/C25H44OP2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-26-28-27/h11,13,15,17,19,28H,7-10,12,14,16,18,20,27H2,1-6H3/b22-13+,23-15+,24-17+,25-19-
InChIKeyWENJBIBOHXNVKF-FBKZNXDGSA-N
MW422.57 g/mol
LogP9.26
Rot. Bonds15

About [(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-phosphanylphosphane

[(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-phosphanylphosphane (PubChem CID 90224835) has the molecular formula C25H44OP2 and a molecular weight of 422.57 g/mol. Its IUPAC name is [(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-phosphanylphosphane.

Molecular Properties

Compound Name[(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-phosphanylphosphane
PubChem CID90224835
Molecular FormulaC25H44OP2
Molecular Weight422.57 g/mol
Exact Mass422.29
IUPAC Name[(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-phosphanylphosphane
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C\COPP
InChIInChI=1S/C25H44OP2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-26-28-27/h11,13,15,17,19,28H,7-10,12,14,16,18,20,27H2,1-6H3/b22-13+,23-15+,24-17+,25-19-
InChIKeyWENJBIBOHXNVKF-FBKZNXDGSA-N
XLogP9.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

Analyze [(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-phosphanylphosphane with MolForge

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Related Compounds

phosphanyl-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphane
CID 90224829
N-[(2E,6E)-8-(diphosphanyloxy)-2,6-dimethylocta-2,6-dienyl]-N,2,3,4,5,6-hexamethylaniline
CID 59967276
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
3,7,11-trimethyldodeca-2,6,10-trienoxymethanol
CID 173478394
[(2E,6E)-8-methoxy-3,7-dimethyldodeca-2,6-dienoxy]-phosphanylphosphane
CID 90224828
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl acetate
CID 78421842
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2-aminoacetate
CID 46937945
bis[(2Z)-3,7-dimethylocta-2,6-dienyl] [(2E)-3,7-dimethylocta-2,6-dienyl] borate
CID 6436996
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859

Frequently Asked Questions

What is the IUPAC name of [(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-phosphanylphosphane?
The IUPAC name of [(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-phosphanylphosphane (CID 90224835) is [(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-phosphanylphosphane.
What is the SMILES notation for [(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-phosphanylphosphane?
The canonical SMILES for [(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-phosphanylphosphane is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C\COPP.
What is the InChIKey of [(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-phosphanylphosphane?
The InChIKey is WENJBIBOHXNVKF-FBKZNXDGSA-N. The full InChI is InChI=1S/C25H44OP2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-26-28-27/h11,13,15,17,19,28H,7-10,12,14,16,18,20,27H2,1-6H3/b22-13+,23-15+,24-17+,25-19-.
What are the key properties of [(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-phosphanylphosphane?
[(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-phosphanylphosphane has a molecular weight of 422.57 g/mol, XLogP of 9.26, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-phosphanylphosphane is sourced from PubChem (CID 90224835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).