1-[3-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]hexoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;ethane

C230H352N18O45 — CID 158050425

IUPAC1-[3-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]hexoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;ethane
SMILESC/C=C/COc1cc(C)c(OCCCCCCCCCOc2cc(C=NOC)on2)c(C)c1.C/C=C/COc1cc(C)c(OCCCCCCCCOc2cc(C(C)=NOC)on2)c(C)c1.C/C=C/COc1cc(C)c(OCCCCCCCCOc2cc(C=NOC)on2)c(C)c1.C/C=C/COc1cc(C)c(OCCCCCCCOc2cc(C(C)=NOC)on2)c(C)c1.C/C=C/COc1cc(C)c(OCCCCCCOc2cc(C(C)=NOC)on2)c(C)c1.C/C=C/COc1cc(C)c(OCCCCCOc2cc(C(C)=NOC)on2)c(C)c1.C/C=C/COc1cc(C)c(OCCCCOc2cc(C(C)=NOC)on2)c(C)c1.C/C=C/COc1cc(C)c(OCCCOc2cc(C(C)=NOC)on2)c(C)c1.C/C=C/COc1cc(C)c(OCCOc2cc(C(C)=NOC)on2)c(C)c1.CC.CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/2C26H38N2O5.2C25H36N2O5.C24H34N2O5.C23H32N2O5.C22H30N2O5.C21H28N2O5.C20H26N2O5.9C2H6/c1-6-7-14-30-23-17-20(2)26(21(3)18-23)32-16-13-11-9-8-10-12-15-31-25-19-24(33-28-25)22(4)27-29-5;1-5-6-14-30-23-17-21(2)26(22(3)18-23)32-16-13-11-9-7-8-10-12-15-31-25-19-24(33-28-25)20-27-29-4;1-6-7-13-29-22-16-19(2)25(20(3)17-22)31-15-12-10-8-9-11-14-30-24-18-23(32-27-24)21(4)26-28-5;1-5-6-13-29-22-16-20(2)25(21(3)17-22)31-15-12-10-8-7-9-11-14-30-24-18-23(32-27-24)19-26-28-4;1-6-7-12-28-21-15-18(2)24(19(3)16-21)30-14-11-9-8-10-13-29-23-17-22(31-26-23)20(4)25-27-5;1-6-7-11-27-20-14-17(2)23(18(3)15-20)29-13-10-8-9-12-28-22-16-21(30-25-22)19(4)24-26-5;1-6-7-10-26-19-13-16(2)22(17(3)14-19)28-12-9-8-11-27-21-15-20(29-24-21)18(4)23-25-5;1-6-7-9-25-18-12-15(2)21(16(3)13-18)27-11-8-10-26-20-14-19(28-23-20)17(4)22-24-5;1-6-7-8-24-17-11-14(2)20(15(3)12-17)26-10-9-25-19-13-18(27-22-19)16(4)21-23-5;9*1-2/h6-7,17-19H,8-16H2,1-5H3;5-6,17-20H,7-16H2,1-4H3;6-7,16-18H,8-15H2,1-5H3;5-6,16-19H,7-15H2,1-4H3;6-7,15-17H,8-14H2,1-5H3;6-7,14-16H,8-13H2,1-5H3;6-7,13-15H,8-12H2,1-5H3;6-7,12-14H,8-11H2,1-5H3;6-7,11-13H,8-10H2,1-5H3;9*1-2H3/b7-6+,27-22?;6-5+,27-20?;7-6+,26-21?;6-5+,26-19?;7-6+,25-20?;7-6+,24-19?;7-6+,23-18?;7-6+,22-17?;7-6+,21-16?;;;;;;;;;
InChIKeyFJKJYMKQXVVLPO-PGHNAPEJSA-N
MW4089.43 g/mol
LogP58.39
Rot. Bonds124

About 1-[3-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]hexoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;ethane

1-[3-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]hexoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;ethane (PubChem CID 158050425) has the molecular formula C230H352N18O45 and a molecular weight of 4089.43 g/mol. Its IUPAC name is 1-[3-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]hexoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;ethane.

Molecular Properties

Compound Name1-[3-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]hexoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;ethane
PubChem CID158050425
Molecular FormulaC230H352N18O45
Molecular Weight4089.43 g/mol
Exact Mass4086.58
IUPAC Name1-[3-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]hexoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;ethane
SMILESC/C=C/COc1cc(C)c(OCCCCCCCCCOc2cc(C=NOC)on2)c(C)c1.C/C=C/COc1cc(C)c(OCCCCCCCCOc2cc(C(C)=NOC)on2)c(C)c1.C/C=C/COc1cc(C)c(OCCCCCCCCOc2cc(C=NOC)on2)c(C)c1.C/C=C/COc1cc(C)c(OCCCCCCCOc2cc(C(C)=NOC)on2)c(C)c1.C/C=C/COc1cc(C)c(OCCCCCCOc2cc(C(C)=NOC)on2)c(C)c1.C/C=C/COc1cc(C)c(OCCCCCOc2cc(C(C)=NOC)on2)c(C)c1.C/C=C/COc1cc(C)c(OCCCCOc2cc(C(C)=NOC)on2)c(C)c1.C/C=C/COc1cc(C)c(OCCCOc2cc(C(C)=NOC)on2)c(C)c1.C/C=C/COc1cc(C)c(OCCOc2cc(C(C)=NOC)on2)c(C)c1.CC.CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/2C26H38N2O5.2C25H36N2O5.C24H34N2O5.C23H32N2O5.C22H30N2O5.C21H28N2O5.C20H26N2O5.9C2H6/c1-6-7-14-30-23-17-20(2)26(21(3)18-23)32-16-13-11-9-8-10-12-15-31-25-19-24(33-28-25)22(4)27-29-5;1-5-6-14-30-23-17-21(2)26(22(3)18-23)32-16-13-11-9-7-8-10-12-15-31-25-19-24(33-28-25)20-27-29-4;1-6-7-13-29-22-16-19(2)25(20(3)17-22)31-15-12-10-8-9-11-14-30-24-18-23(32-27-24)21(4)26-28-5;1-5-6-13-29-22-16-20(2)25(21(3)17-22)31-15-12-10-8-7-9-11-14-30-24-18-23(32-27-24)19-26-28-4;1-6-7-12-28-21-15-18(2)24(19(3)16-21)30-14-11-9-8-10-13-29-23-17-22(31-26-23)20(4)25-27-5;1-6-7-11-27-20-14-17(2)23(18(3)15-20)29-13-10-8-9-12-28-22-16-21(30-25-22)19(4)24-26-5;1-6-7-10-26-19-13-16(2)22(17(3)14-19)28-12-9-8-11-27-21-15-20(29-24-21)18(4)23-25-5;1-6-7-9-25-18-12-15(2)21(16(3)13-18)27-11-8-10-26-20-14-19(28-23-20)17(4)22-24-5;1-6-7-8-24-17-11-14(2)20(15(3)12-17)26-10-9-25-19-13-18(27-22-19)16(4)21-23-5;9*1-2/h6-7,17-19H,8-16H2,1-5H3;5-6,17-20H,7-16H2,1-4H3;6-7,16-18H,8-15H2,1-5H3;5-6,16-19H,7-15H2,1-4H3;6-7,15-17H,8-14H2,1-5H3;6-7,14-16H,8-13H2,1-5H3;6-7,13-15H,8-12H2,1-5H3;6-7,12-14H,8-11H2,1-5H3;6-7,11-13H,8-10H2,1-5H3;9*1-2H3/b7-6+,27-22?;6-5+,27-20?;7-6+,26-21?;6-5+,26-19?;7-6+,25-20?;7-6+,24-19?;7-6+,23-18?;7-6+,22-17?;7-6+,21-16?;;;;;;;;;
InChIKeyFJKJYMKQXVVLPO-PGHNAPEJSA-N
XLogP58.39
TPSA677.79 Ų
H-Bond Donors
H-Bond Acceptors63
Rotatable Bonds124
Heavy Atoms293
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004089.43
LogP ≤ 558.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1063

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 1-[3-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]hexoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;ethane with MolForge

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Launch Full Analysis

Related Compounds

(E)-1-[3-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine
CID 22962514
(E)-1-[4-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-3,5-dimethylphenyl]-N-methoxyethanimine
CID 22962827
(E)-1-[4-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]phenyl]-N-methoxyethanimine
CID 22962874
1-[4-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]phenyl]-N-methoxyethanimine
CID 158579292
1-[6-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-3-pyridinyl]-N-methoxyethanimine
CID 159592567
(E)-1-[5-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]pyrimidin-2-yl]-N-methoxymethanimine
CID 22962989
(E)-1-[5-[6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]hexoxy]pyrimidin-2-yl]-N-methoxymethanimine
CID 22962962
(E)-1-[6-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]pyridazin-3-yl]-N-methoxyethanimine
CID 22963002
1-[4-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-2,5-dimethylphenyl]-N-methoxyethanimine
CID 160806894
tris(1-[3-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]phenyl]-N-methoxyethanimine);tris(1-[3-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]phenyl]-N-methoxyethanimine);tris(1-[3-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]phenyl]-N-methoxyethanimine);ethane
CID 161032931
1-[4-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]phenyl]-N-methoxyethanimine
CID 159257232
(E)-1-[5-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-1-methylpyrazol-3-yl]-N-methoxymethanimine
CID 23379380

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]hexoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;ethane?
The IUPAC name of 1-[3-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]hexoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;ethane (CID 158050425) is 1-[3-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]hexoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;ethane.
What is the SMILES notation for 1-[3-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]hexoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;ethane?
The canonical SMILES for 1-[3-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]hexoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;ethane is C/C=C/COc1cc(C)c(OCCCCCCCCCOc2cc(C=NOC)on2)c(C)c1.C/C=C/COc1cc(C)c(OCCCCCCCCOc2cc(C(C)=NOC)on2)c(C)c1.C/C=C/COc1cc(C)c(OCCCCCCCCOc2cc(C=NOC)on2)c(C)c1.C/C=C/COc1cc(C)c(OCCCCCCCOc2cc(C(C)=NOC)on2)c(C)c1.C/C=C/COc1cc(C)c(OCCCCCCOc2cc(C(C)=NOC)on2)c(C)c1.C/C=C/COc1cc(C)c(OCCCCCOc2cc(C(C)=NOC)on2)c(C)c1.C/C=C/COc1cc(C)c(OCCCCOc2cc(C(C)=NOC)on2)c(C)c1.C/C=C/COc1cc(C)c(OCCCOc2cc(C(C)=NOC)on2)c(C)c1.C/C=C/COc1cc(C)c(OCCOc2cc(C(C)=NOC)on2)c(C)c1.CC.CC.CC.CC.CC.CC.CC.CC.CC.
What is the InChIKey of 1-[3-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]hexoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;ethane?
The InChIKey is FJKJYMKQXVVLPO-PGHNAPEJSA-N. The full InChI is InChI=1S/2C26H38N2O5.2C25H36N2O5.C24H34N2O5.C23H32N2O5.C22H30N2O5.C21H28N2O5.C20H26N2O5.9C2H6/c1-6-7-14-30-23-17-20(2)26(21(3)18-23)32-16-13-11-9-8-10-12-15-31-25-19-24(33-28-25)22(4)27-29-5;1-5-6-14-30-23-17-21(2)26(22(3)18-23)32-16-13-11-9-7-8-10-12-15-31-25-19-24(33-28-25)20-27-29-4;1-6-7-13-29-22-16-19(2)25(20(3)17-22)31-15-12-10-8-9-11-14-30-24-18-23(32-27-24)21(4)26-28-5;1-5-6-13-29-22-16-20(2)25(21(3)17-22)31-15-12-10-8-7-9-11-14-30-24-18-23(32-27-24)19-26-28-4;1-6-7-12-28-21-15-18(2)24(19(3)16-21)30-14-11-9-8-10-13-29-23-17-22(31-26-23)20(4)25-27-5;1-6-7-11-27-20-14-17(2)23(18(3)15-20)29-13-10-8-9-12-28-22-16-21(30-25-22)19(4)24-26-5;1-6-7-10-26-19-13-16(2)22(17(3)14-19)28-12-9-8-11-27-21-15-20(29-24-21)18(4)23-25-5;1-6-7-9-25-18-12-15(2)21(16(3)13-18)27-11-8-10-26-20-14-19(28-23-20)17(4)22-24-5;1-6-7-8-24-17-11-14(2)20(15(3)12-17)26-10-9-25-19-13-18(27-22-19)16(4)21-23-5;9*1-2/h6-7,17-19H,8-16H2,1-5H3;5-6,17-20H,7-16H2,1-4H3;6-7,16-18H,8-15H2,1-5H3;5-6,16-19H,7-15H2,1-4H3;6-7,15-17H,8-14H2,1-5H3;6-7,14-16H,8-13H2,1-5H3;6-7,13-15H,8-12H2,1-5H3;6-7,12-14H,8-11H2,1-5H3;6-7,11-13H,8-10H2,1-5H3;9*1-2H3/b7-6+,27-22?;6-5+,27-20?;7-6+,26-21?;6-5+,26-19?;7-6+,25-20?;7-6+,24-19?;7-6+,23-18?;7-6+,22-17?;7-6+,21-16?;;;;;;;;;.
What are the key properties of 1-[3-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]hexoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;ethane?
1-[3-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]hexoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;ethane has a molecular weight of 4089.43 g/mol, XLogP of 58.39, 124 rotatable bonds, 0 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[6-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]hexoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-1,2-oxazol-5-yl]-N-methoxymethanimine;1-[3-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;1-[3-[3-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]propoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine;ethane is sourced from PubChem (CID 158050425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).