[(2E,6E)-8-methoxy-3,7-dimethyldodeca-2,6-dienoxy]-phosphanylphosphane

C15H30O2P2 — CID 90224828

IUPAC[(2E,6E)-8-methoxy-3,7-dimethyldodeca-2,6-dienoxy]-phosphanylphosphane
SMILESCCCCC(OC)/C(C)=C/CC/C(C)=C/COPP
InChIInChI=1S/C15H30O2P2/c1-5-6-10-15(16-4)14(3)9-7-8-13(2)11-12-17-19-18/h9,11,15,19H,5-8,10,12,18H2,1-4H3/b13-11+,14-9+
InChIKeyWPYSCUSAQXJNIS-AOAVBJDHSA-N
MW304.35 g/mol
LogP5.26
Rot. Bonds11

About [(2E,6E)-8-methoxy-3,7-dimethyldodeca-2,6-dienoxy]-phosphanylphosphane

[(2E,6E)-8-methoxy-3,7-dimethyldodeca-2,6-dienoxy]-phosphanylphosphane (PubChem CID 90224828) has the molecular formula C15H30O2P2 and a molecular weight of 304.35 g/mol. Its IUPAC name is [(2E,6E)-8-methoxy-3,7-dimethyldodeca-2,6-dienoxy]-phosphanylphosphane.

Molecular Properties

Compound Name[(2E,6E)-8-methoxy-3,7-dimethyldodeca-2,6-dienoxy]-phosphanylphosphane
PubChem CID90224828
Molecular FormulaC15H30O2P2
Molecular Weight304.35 g/mol
Exact Mass304.17
IUPAC Name[(2E,6E)-8-methoxy-3,7-dimethyldodeca-2,6-dienoxy]-phosphanylphosphane
SMILESCCCCC(OC)/C(C)=C/CC/C(C)=C/COPP
InChIInChI=1S/C15H30O2P2/c1-5-6-10-15(16-4)14(3)9-7-8-13(2)11-12-17-19-18/h9,11,15,19H,5-8,10,12,18H2,1-4H3/b13-11+,14-9+
InChIKeyWPYSCUSAQXJNIS-AOAVBJDHSA-N
XLogP5.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.35
LogP ≤ 55.26
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
(7,7-dimethoxy-3-methylhept-2-enoxy)-phosphanylphosphane
CID 123837486
(6E,10E)-12-[tert-butyl(diphenyl)silyl]oxy-6,10-dimethyldodeca-6,10-dien-5-ol;(2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-2,6-dimethylocta-2,6-dienal;tert-butyl-[(2E,6E)-8-methoxy-3,7-dimethyldodeca-2,6-dienoxy]-diphenylsilane;(2E,6E)-1-chloro-8-methoxy-3,7-dimethyldodeca-2,6-diene;(2E,6E)-3,7-dimethyldodeca-2,6-diene-1,8-diol;(2E)-3,7-dimethylocta-2,6-dien-1-ol;[(2E)-3,7-dimethylocta-2,6-dienyl] acetate;(2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienal;[(2E,6E)-8-methoxy-3,7-dimethyldodeca-2,6-dienoxy]-phosphanylphosphane;[(2E,6E)-7-methoxy-3-methylocta-2,6-dienyl] acetate
CID 159238516
N-[(2E,6E)-8-(diphosphanyloxy)-2,6-dimethylocta-2,6-dienyl]-N,2,3,4,5,6-hexamethylaniline
CID 59967276
(2E)-1-(2-ethylhexylperoxy)-3,7-dimethylocta-2,6-diene
CID 174893281
3,7-dimethylocta-2,6-dienyl 2-ethylhexanoate
CID 71405750
(2E)-1-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]nonoxy]-3,7-dimethylocta-2,6-diene
CID 6437124
(E)-5-methoxy-4-methyldec-3-en-2-one
CID 87291179
(6E)-8-methoxy-2,6-dimethyldocosa-2,6-diene
CID 176571098
5-methoxynonan-4-one
CID 83225262
1-(3,7-dimethylocta-2,6-dienoxy)hexadecane
CID 72752481

Frequently Asked Questions

What is the IUPAC name of [(2E,6E)-8-methoxy-3,7-dimethyldodeca-2,6-dienoxy]-phosphanylphosphane?
The IUPAC name of [(2E,6E)-8-methoxy-3,7-dimethyldodeca-2,6-dienoxy]-phosphanylphosphane (CID 90224828) is [(2E,6E)-8-methoxy-3,7-dimethyldodeca-2,6-dienoxy]-phosphanylphosphane.
What is the SMILES notation for [(2E,6E)-8-methoxy-3,7-dimethyldodeca-2,6-dienoxy]-phosphanylphosphane?
The canonical SMILES for [(2E,6E)-8-methoxy-3,7-dimethyldodeca-2,6-dienoxy]-phosphanylphosphane is CCCCC(OC)/C(C)=C/CC/C(C)=C/COPP.
What is the InChIKey of [(2E,6E)-8-methoxy-3,7-dimethyldodeca-2,6-dienoxy]-phosphanylphosphane?
The InChIKey is WPYSCUSAQXJNIS-AOAVBJDHSA-N. The full InChI is InChI=1S/C15H30O2P2/c1-5-6-10-15(16-4)14(3)9-7-8-13(2)11-12-17-19-18/h9,11,15,19H,5-8,10,12,18H2,1-4H3/b13-11+,14-9+.
What are the key properties of [(2E,6E)-8-methoxy-3,7-dimethyldodeca-2,6-dienoxy]-phosphanylphosphane?
[(2E,6E)-8-methoxy-3,7-dimethyldodeca-2,6-dienoxy]-phosphanylphosphane has a molecular weight of 304.35 g/mol, XLogP of 5.26, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,6E)-8-methoxy-3,7-dimethyldodeca-2,6-dienoxy]-phosphanylphosphane is sourced from PubChem (CID 90224828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).