N-[(2E,6E)-8-(diphosphanyloxy)-2,6-dimethylocta-2,6-dienyl]-N,2,3,4,5,6-hexamethylaniline

C22H37NOP2 — CID 59967276

IUPACN-[(2E,6E)-8-(diphosphanyloxy)-2,6-dimethylocta-2,6-dienyl]-N,2,3,4,5,6-hexamethylaniline
SMILESC/C(=C\COPP)CC/C=C(\C)CN(C)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C22H37NOP2/c1-15(12-13-24-26-25)10-9-11-16(2)14-23(8)22-20(6)18(4)17(3)19(5)21(22)7/h11-12,26H,9-10,13-14,25H2,1-8H3/b15-12+,16-11+
InChIKeyYWLYVOFKJXTIBN-KSELWQEASA-N
MW393.49 g/mol
LogP6.74
Rot. Bonds9

About N-[(2E,6E)-8-(diphosphanyloxy)-2,6-dimethylocta-2,6-dienyl]-N,2,3,4,5,6-hexamethylaniline

N-[(2E,6E)-8-(diphosphanyloxy)-2,6-dimethylocta-2,6-dienyl]-N,2,3,4,5,6-hexamethylaniline (PubChem CID 59967276) has the molecular formula C22H37NOP2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[(2E,6E)-8-(diphosphanyloxy)-2,6-dimethylocta-2,6-dienyl]-N,2,3,4,5,6-hexamethylaniline.

Molecular Properties

Compound NameN-[(2E,6E)-8-(diphosphanyloxy)-2,6-dimethylocta-2,6-dienyl]-N,2,3,4,5,6-hexamethylaniline
PubChem CID59967276
Molecular FormulaC22H37NOP2
Molecular Weight393.49 g/mol
Exact Mass393.24
IUPAC NameN-[(2E,6E)-8-(diphosphanyloxy)-2,6-dimethylocta-2,6-dienyl]-N,2,3,4,5,6-hexamethylaniline
SMILESC/C(=C\COPP)CC/C=C(\C)CN(C)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C22H37NOP2/c1-15(12-13-24-26-25)10-9-11-16(2)14-23(8)22-20(6)18(4)17(3)19(5)21(22)7/h11-12,26H,9-10,13-14,25H2,1-8H3/b15-12+,16-11+
InChIKeyYWLYVOFKJXTIBN-KSELWQEASA-N
XLogP6.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 56.74
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'}

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Related Compounds

phosphanyl-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphane
CID 90224829
[(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-phosphanylphosphane
CID 90224835
[(2E,6E)-8-methoxy-3,7-dimethyldodeca-2,6-dienoxy]-phosphanylphosphane
CID 90224828
(7,7-dimethoxy-3-methylhept-2-enoxy)-phosphanylphosphane
CID 123837486
3,7,11-trimethyldodeca-2,6,10-trienoxymethanol
CID 173478394
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2-aminoacetate
CID 46937945
(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
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl acetate
CID 78421842
1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene
CID 3018010

Frequently Asked Questions

What is the IUPAC name of N-[(2E,6E)-8-(diphosphanyloxy)-2,6-dimethylocta-2,6-dienyl]-N,2,3,4,5,6-hexamethylaniline?
The IUPAC name of N-[(2E,6E)-8-(diphosphanyloxy)-2,6-dimethylocta-2,6-dienyl]-N,2,3,4,5,6-hexamethylaniline (CID 59967276) is N-[(2E,6E)-8-(diphosphanyloxy)-2,6-dimethylocta-2,6-dienyl]-N,2,3,4,5,6-hexamethylaniline.
What is the SMILES notation for N-[(2E,6E)-8-(diphosphanyloxy)-2,6-dimethylocta-2,6-dienyl]-N,2,3,4,5,6-hexamethylaniline?
The canonical SMILES for N-[(2E,6E)-8-(diphosphanyloxy)-2,6-dimethylocta-2,6-dienyl]-N,2,3,4,5,6-hexamethylaniline is C/C(=C\COPP)CC/C=C(\C)CN(C)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of N-[(2E,6E)-8-(diphosphanyloxy)-2,6-dimethylocta-2,6-dienyl]-N,2,3,4,5,6-hexamethylaniline?
The InChIKey is YWLYVOFKJXTIBN-KSELWQEASA-N. The full InChI is InChI=1S/C22H37NOP2/c1-15(12-13-24-26-25)10-9-11-16(2)14-23(8)22-20(6)18(4)17(3)19(5)21(22)7/h11-12,26H,9-10,13-14,25H2,1-8H3/b15-12+,16-11+.
What are the key properties of N-[(2E,6E)-8-(diphosphanyloxy)-2,6-dimethylocta-2,6-dienyl]-N,2,3,4,5,6-hexamethylaniline?
N-[(2E,6E)-8-(diphosphanyloxy)-2,6-dimethylocta-2,6-dienyl]-N,2,3,4,5,6-hexamethylaniline has a molecular weight of 393.49 g/mol, XLogP of 6.74, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,6E)-8-(diphosphanyloxy)-2,6-dimethylocta-2,6-dienyl]-N,2,3,4,5,6-hexamethylaniline is sourced from PubChem (CID 59967276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).