phosphanyl-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphane

C15H28OP2 — CID 90224829

IUPACphosphanyl-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphane
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C\COPP
InChIInChI=1S/C15H28OP2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16-18-17/h7,9,11,18H,5-6,8,10,12,17H2,1-4H3/b14-9+,15-11-
InChIKeyUGRWSSVADJILCW-PVMFERMNSA-N
MW286.34 g/mol
LogP5.81
Rot. Bonds9

About phosphanyl-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphane

phosphanyl-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphane (PubChem CID 90224829) has the molecular formula C15H28OP2 and a molecular weight of 286.34 g/mol. Its IUPAC name is phosphanyl-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphane.

Molecular Properties

Compound Namephosphanyl-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphane
PubChem CID90224829
Molecular FormulaC15H28OP2
Molecular Weight286.34 g/mol
Exact Mass286.16
IUPAC Namephosphanyl-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphane
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C\COPP
InChIInChI=1S/C15H28OP2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16-18-17/h7,9,11,18H,5-6,8,10,12,17H2,1-4H3/b14-9+,15-11-
InChIKeyUGRWSSVADJILCW-PVMFERMNSA-N
XLogP5.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.34
LogP ≤ 55.81
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'}

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Related Compounds

[(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]-phosphanylphosphane
CID 90224835
N-[(2E,6E)-8-(diphosphanyloxy)-2,6-dimethylocta-2,6-dienyl]-N,2,3,4,5,6-hexamethylaniline
CID 59967276
(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
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
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 phosphanyl-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphane?
The IUPAC name of phosphanyl-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphane (CID 90224829) is phosphanyl-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphane.
What is the SMILES notation for phosphanyl-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphane?
The canonical SMILES for phosphanyl-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphane is CC(C)=CCC/C(C)=C/CC/C(C)=C\COPP.
What is the InChIKey of phosphanyl-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphane?
The InChIKey is UGRWSSVADJILCW-PVMFERMNSA-N. The full InChI is InChI=1S/C15H28OP2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16-18-17/h7,9,11,18H,5-6,8,10,12,17H2,1-4H3/b14-9+,15-11-.
What are the key properties of phosphanyl-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphane?
phosphanyl-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphane has a molecular weight of 286.34 g/mol, XLogP of 5.81, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphane is sourced from PubChem (CID 90224829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).