[(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl] bis(4-methoxyphenyl) phosphite

C22H25O6P — CID 138718891

IUPAC[(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl] bis(4-methoxyphenyl) phosphite
SMILESC=C/C(=C\C=C(/C)OP(Oc1ccc(OC)cc1)Oc1ccc(OC)cc1)OC
InChIInChI=1S/C22H25O6P/c1-6-18(23-3)8-7-17(2)26-29(27-21-13-9-19(24-4)10-14-21)28-22-15-11-20(25-5)12-16-22/h6-16H,1H2,2-5H3/b17-7+,18-8+
InChIKeyPQCMYACGJLGWKA-ZEELXFFVSA-N
MW416.41 g/mol
LogP6.03
Rot. Bonds11

About [(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl] bis(4-methoxyphenyl) phosphite

[(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl] bis(4-methoxyphenyl) phosphite (PubChem CID 138718891) has the molecular formula C22H25O6P and a molecular weight of 416.41 g/mol. Its IUPAC name is [(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl] bis(4-methoxyphenyl) phosphite.

Molecular Properties

Compound Name[(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl] bis(4-methoxyphenyl) phosphite
PubChem CID138718891
Molecular FormulaC22H25O6P
Molecular Weight416.41 g/mol
Exact Mass416.14
IUPAC Name[(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl] bis(4-methoxyphenyl) phosphite
SMILESC=C/C(=C\C=C(/C)OP(Oc1ccc(OC)cc1)Oc1ccc(OC)cc1)OC
InChIInChI=1S/C22H25O6P/c1-6-18(23-3)8-7-17(2)26-29(27-21-13-9-19(24-4)10-14-21)28-22-15-11-20(25-5)12-16-22/h6-16H,1H2,2-5H3/b17-7+,18-8+
InChIKeyPQCMYACGJLGWKA-ZEELXFFVSA-N
XLogP6.03
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.41
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-[N,4-bis(4-methoxyphenyl)anilino]phenyl]phenyl]-4-[4-[4-[4-[N-(5-methoxyhepta-2,4,6-trien-2-yl)-4-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)aniline
CID 123996172
(3E,5E,7E,9E)-3,10-dimethoxy-6,7-dimethyldodeca-1,3,5,7,9,11-hexaene
CID 155039162
N-[4-(4-methoxyphenoxy)phenyl]prop-2-enamide
CID 135290524
1-ethenyl-4-methoxybenzene;2-methylbuta-1,3-diene
CID 21495831
ethane;1-methoxy-4-[(2E,4E)-5-nitrohepta-2,4,6-trien-2-yl]oxybenzene
CID 142087895
1-methoxy-4-[[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]oxymethyl]benzene
CID 143140381
N-(4-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403507
(4-methoxyphenyl)methyl-dimethyl-prop-2-enylazanium iodide
CID 11325061
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 146089817
1-methoxy-4-[(E)-1-methylsulfanylprop-1-en-2-yl]benzene
CID 134934706
N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 881958
(2Z)-N-[(4-methoxyphenyl)methyl]-3-methylpenta-2,4-dien-1-imine
CID 174328933

Frequently Asked Questions

What is the IUPAC name of [(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl] bis(4-methoxyphenyl) phosphite?
The IUPAC name of [(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl] bis(4-methoxyphenyl) phosphite (CID 138718891) is [(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl] bis(4-methoxyphenyl) phosphite.
What is the SMILES notation for [(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl] bis(4-methoxyphenyl) phosphite?
The canonical SMILES for [(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl] bis(4-methoxyphenyl) phosphite is C=C/C(=C\C=C(/C)OP(Oc1ccc(OC)cc1)Oc1ccc(OC)cc1)OC.
What is the InChIKey of [(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl] bis(4-methoxyphenyl) phosphite?
The InChIKey is PQCMYACGJLGWKA-ZEELXFFVSA-N. The full InChI is InChI=1S/C22H25O6P/c1-6-18(23-3)8-7-17(2)26-29(27-21-13-9-19(24-4)10-14-21)28-22-15-11-20(25-5)12-16-22/h6-16H,1H2,2-5H3/b17-7+,18-8+.
What are the key properties of [(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl] bis(4-methoxyphenyl) phosphite?
[(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl] bis(4-methoxyphenyl) phosphite has a molecular weight of 416.41 g/mol, XLogP of 6.03, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl] bis(4-methoxyphenyl) phosphite is sourced from PubChem (CID 138718891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).