tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-2-pyridinyl]-N-methoxyethanimine);tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxyethanimine);bis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxypropan-1-imine);ethane;ethene;methane

C238H340N20O34 — CID 159686464

IUPACtetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-2-pyridinyl]-N-methoxyethanimine);tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxyethanimine);bis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxypropan-1-imine);ethane;ethene;methane
SMILESC.C.C/C=C/COc1cc(C)c(OCOc2ccc(C(C)=NOC)nc2)c(C)c1.C/C=C/COc1cc(C)c(OCOc2ccc(C(C)=NOC)nc2)c(C)c1.C/C=C/COc1cc(C)c(OCOc2ccc(C(C)=NOC)nc2)c(C)c1.C/C=C/COc1cc(C)c(OCOc2ccc(C(C)=NOC)nc2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(C)=NOC)nc2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(C)=NOC)nc2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(C)=NOC)nc2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(C)=NOC)nc2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(CC)=NOC)nc2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(CC)=NOC)nc2)c(C)c1.C=C.C=C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/2C22H28N2O3.4C21H26N2O4.4C21H26N2O3.10C2H6.2C2H4.2CH4/c2*1-6-8-11-26-19-12-16(3)22(17(4)13-19)27-15-18-9-10-21(23-14-18)20(7-2)24-25-5;4*1-6-7-10-25-19-11-15(2)21(16(3)12-19)27-14-26-18-8-9-20(22-13-18)17(4)23-24-5;4*1-6-7-10-25-19-11-15(2)21(16(3)12-19)26-14-18-8-9-20(22-13-18)17(4)23-24-5;12*1-2;;/h2*6,8-10,12-14H,7,11,15H2,1-5H3;4*6-9,11-13H,10,14H2,1-5H3;4*6-9,11-13H,10,14H2,1-5H3;10*1-2H3;2*1-2H2;2*1H4/b2*8-6+,24-20?;8*7-6+,23-17?;;;;;;;;;;;;;;
InChIKeyMVWBERCUUPNWTD-LWQUZJKESA-N
MW4025.44 g/mol
LogP59.29
Rot. Bonds86

About tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-2-pyridinyl]-N-methoxyethanimine);tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxyethanimine);bis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxypropan-1-imine);ethane;ethene;methane

tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-2-pyridinyl]-N-methoxyethanimine);tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxyethanimine);bis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxypropan-1-imine);ethane;ethene;methane (PubChem CID 159686464) has the molecular formula C238H340N20O34 and a molecular weight of 4025.44 g/mol. Its IUPAC name is tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-2-pyridinyl]-N-methoxyethanimine);tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxyethanimine);bis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxypropan-1-imine);ethane;ethene;methane.

Molecular Properties

Compound Nametetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-2-pyridinyl]-N-methoxyethanimine);tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxyethanimine);bis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxypropan-1-imine);ethane;ethene;methane
PubChem CID159686464
Molecular FormulaC238H340N20O34
Molecular Weight4025.44 g/mol
Exact Mass4022.55
IUPAC Nametetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-2-pyridinyl]-N-methoxyethanimine);tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxyethanimine);bis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxypropan-1-imine);ethane;ethene;methane
SMILESC.C.C/C=C/COc1cc(C)c(OCOc2ccc(C(C)=NOC)nc2)c(C)c1.C/C=C/COc1cc(C)c(OCOc2ccc(C(C)=NOC)nc2)c(C)c1.C/C=C/COc1cc(C)c(OCOc2ccc(C(C)=NOC)nc2)c(C)c1.C/C=C/COc1cc(C)c(OCOc2ccc(C(C)=NOC)nc2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(C)=NOC)nc2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(C)=NOC)nc2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(C)=NOC)nc2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(C)=NOC)nc2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(CC)=NOC)nc2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(CC)=NOC)nc2)c(C)c1.C=C.C=C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/2C22H28N2O3.4C21H26N2O4.4C21H26N2O3.10C2H6.2C2H4.2CH4/c2*1-6-8-11-26-19-12-16(3)22(17(4)13-19)27-15-18-9-10-21(23-14-18)20(7-2)24-25-5;4*1-6-7-10-25-19-11-15(2)21(16(3)12-19)27-14-26-18-8-9-20(22-13-18)17(4)23-24-5;4*1-6-7-10-25-19-11-15(2)21(16(3)12-19)26-14-18-8-9-20(22-13-18)17(4)23-24-5;12*1-2;;/h2*6,8-10,12-14H,7,11,15H2,1-5H3;4*6-9,11-13H,10,14H2,1-5H3;4*6-9,11-13H,10,14H2,1-5H3;10*1-2H3;2*1-2H2;2*1H4/b2*8-6+,24-20?;8*7-6+,23-17?;;;;;;;;;;;;;;
InChIKeyMVWBERCUUPNWTD-LWQUZJKESA-N
XLogP59.29
TPSA566.32 Ų
H-Bond Donors
H-Bond Acceptors54
Rotatable Bonds86
Heavy Atoms292
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004025.44
LogP ≤ 559.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-2-pyridinyl]-N-methoxyethanimine);tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxyethanimine);bis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxypropan-1-imine);ethane;ethene;methane with MolForge

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Related Compounds

(E)-1-[5-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-2-pyridinyl]-N-methoxyethanimine
CID 23379382
1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]pyrazin-2-yl]-N-methoxyethanimine
CID 90874821
(E)-1-[6-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-3-pyridinyl]-N-methoxypropan-1-imine
CID 59910259
1-[4-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxymethyl]phenoxy]-N-methoxypropan-2-imine
CID 160879793
(Z)-1-[4-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]but-2-ynoxy]phenyl]-N-methoxypropan-1-imine;ethane
CID 90814844
(E)-1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-N-methoxyethanimine
CID 22963017
(E)-1-[4-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-1,3-thiazol-2-yl]-N-methoxyethanimine
CID 22962809
(Z)-1-[4-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butyl]phenyl]-N-methoxyethanimine;(Z)-1-[4-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethyl]phenyl]-N-methoxyethanimine;(Z)-1-[4-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]phenyl]-N-methoxyethanimine;ethane
CID 91300690
(E)-1-[6-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]pyridazin-3-yl]-N-methoxyethanimine
CID 22963002
1-[5-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]pyrimidin-2-yl]-N-methoxyethanimine
CID 160976770
(Z)-1-[5-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-2-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine
CID 23379434
1-[4-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]phenyl]-N-methoxyethanimine
CID 159257232

Frequently Asked Questions

What is the IUPAC name of tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-2-pyridinyl]-N-methoxyethanimine);tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxyethanimine);bis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxypropan-1-imine);ethane;ethene;methane?
The IUPAC name of tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-2-pyridinyl]-N-methoxyethanimine);tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxyethanimine);bis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxypropan-1-imine);ethane;ethene;methane (CID 159686464) is tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-2-pyridinyl]-N-methoxyethanimine);tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxyethanimine);bis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxypropan-1-imine);ethane;ethene;methane.
What is the SMILES notation for tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-2-pyridinyl]-N-methoxyethanimine);tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxyethanimine);bis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxypropan-1-imine);ethane;ethene;methane?
The canonical SMILES for tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-2-pyridinyl]-N-methoxyethanimine);tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxyethanimine);bis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxypropan-1-imine);ethane;ethene;methane is C.C.C/C=C/COc1cc(C)c(OCOc2ccc(C(C)=NOC)nc2)c(C)c1.C/C=C/COc1cc(C)c(OCOc2ccc(C(C)=NOC)nc2)c(C)c1.C/C=C/COc1cc(C)c(OCOc2ccc(C(C)=NOC)nc2)c(C)c1.C/C=C/COc1cc(C)c(OCOc2ccc(C(C)=NOC)nc2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(C)=NOC)nc2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(C)=NOC)nc2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(C)=NOC)nc2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(C)=NOC)nc2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(CC)=NOC)nc2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(CC)=NOC)nc2)c(C)c1.C=C.C=C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.
What is the InChIKey of tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-2-pyridinyl]-N-methoxyethanimine);tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxyethanimine);bis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxypropan-1-imine);ethane;ethene;methane?
The InChIKey is MVWBERCUUPNWTD-LWQUZJKESA-N. The full InChI is InChI=1S/2C22H28N2O3.4C21H26N2O4.4C21H26N2O3.10C2H6.2C2H4.2CH4/c2*1-6-8-11-26-19-12-16(3)22(17(4)13-19)27-15-18-9-10-21(23-14-18)20(7-2)24-25-5;4*1-6-7-10-25-19-11-15(2)21(16(3)12-19)27-14-26-18-8-9-20(22-13-18)17(4)23-24-5;4*1-6-7-10-25-19-11-15(2)21(16(3)12-19)26-14-18-8-9-20(22-13-18)17(4)23-24-5;12*1-2;;/h2*6,8-10,12-14H,7,11,15H2,1-5H3;4*6-9,11-13H,10,14H2,1-5H3;4*6-9,11-13H,10,14H2,1-5H3;10*1-2H3;2*1-2H2;2*1H4/b2*8-6+,24-20?;8*7-6+,23-17?;;;;;;;;;;;;;;.
What are the key properties of tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-2-pyridinyl]-N-methoxyethanimine);tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxyethanimine);bis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxypropan-1-imine);ethane;ethene;methane?
tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-2-pyridinyl]-N-methoxyethanimine);tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxyethanimine);bis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxypropan-1-imine);ethane;ethene;methane has a molecular weight of 4025.44 g/mol, XLogP of 59.29, 86 rotatable bonds, 0 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-2-pyridinyl]-N-methoxyethanimine);tetrakis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxyethanimine);bis(1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-2-pyridinyl]-N-methoxypropan-1-imine);ethane;ethene;methane is sourced from PubChem (CID 159686464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).