2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-isocyano-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;4-isocyano-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;bis(4-methyl-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine);2-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]prop-1-ynyl]pyridine

C215H323N13O33 — CID 159621828

IUPAC2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-isocyano-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;4-isocyano-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;bis(4-methyl-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine);2-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]prop-1-ynyl]pyridine
SMILESCC(C#Cc1ccc(OC2CC(OC(C)(C)C)C2)cn1)OCCOC(C)(C)C.CC(C)(C)OC1CC(Oc2ccc(C#CCCOC3CC(C(C)(C)C)C3)nc2)C1.CC(C)(C)OC1CC(Oc2cnc(C#CCCOC3CC(C(C)(C)C)C3)cn2)C1.CC(C)(C)OCCC#Cc1cnc(OC2CC(OC(C)(C)C)C2)cn1.CC(COC(C)(C)C)OCC#Cc1ccc(OC2CC(OC(C)(C)C)C2)cn1.Cc1cc(C#CCCOCCCOC(C)(C)C)ncc1OC1CC(OC(C)(C)C)C1.Cc1cc(C#CCCOCCCOC(C)(C)C)ncc1OC1CC(OC(C)(C)C)C1.[C-]#[N+]c1cc(C#CCCOCCCOC(C)(C)C)ncc1OC1CC(OC(C)(C)C)C1.[C-]#[N+]c1nc(C#CCCOCCCOC(C)(C)C)ccc1OC1CC(OC(C)(C)C)C1
InChIInChI=1S/2C25H36N2O4.2C25H39NO4.C25H37NO3.C24H36N2O3.2C23H35NO4.C20H30N2O3/c1-24(2,3)29-16-10-15-28-14-9-8-11-19-12-13-22(23(26-7)27-19)30-20-17-21(18-20)31-25(4,5)6;1-24(2,3)29-14-10-13-28-12-9-8-11-19-15-22(26-7)23(18-27-19)30-20-16-21(17-20)31-25(4,5)6;2*1-19-15-20(11-8-9-12-27-13-10-14-28-24(2,3)4)26-18-23(19)29-21-16-22(17-21)30-25(5,6)7;1-24(2,3)18-13-21(14-18)27-12-8-7-9-19-10-11-20(17-26-19)28-22-15-23(16-22)29-25(4,5)6;1-23(2,3)17-11-19(12-17)27-10-8-7-9-18-15-26-22(16-25-18)28-20-13-21(14-20)29-24(4,5)6;1-17(25-12-13-26-22(2,3)4)8-9-18-10-11-19(16-24-18)27-20-14-21(15-20)28-23(5,6)7;1-17(16-26-22(2,3)4)25-12-8-9-18-10-11-19(15-24-18)27-20-13-21(14-20)28-23(5,6)7;1-19(2,3)23-10-8-7-9-15-13-22-18(14-21-15)24-16-11-17(12-16)25-20(4,5)6/h12-13,20-21H,9-10,14-18H2,1-6H3;15,18,20-21H,9-10,12-14,16-17H2,1-6H3;2*15,18,21-22H,9-10,12-14,16-17H2,1-7H3;10-11,17-18,21-23H,8,12-16H2,1-6H3;15-17,19-21H,8,10-14H2,1-6H3;10-11,16-17,20-21H,12-15H2,1-7H3;10-11,15,17,20-21H,12-14,16H2,1-7H3;13-14,16-17H,8,10-12H2,1-6H3
InChIKeyMNZGJNBPYSGLSA-UHFFFAOYSA-N
MW3618.01 g/mol
LogP43.49
Rot. Bonds67

About 2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-isocyano-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;4-isocyano-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;bis(4-methyl-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine);2-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]prop-1-ynyl]pyridine

2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-isocyano-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;4-isocyano-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;bis(4-methyl-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine);2-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]prop-1-ynyl]pyridine (PubChem CID 159621828) has the molecular formula C215H323N13O33 and a molecular weight of 3618.01 g/mol. Its IUPAC name is 2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-isocyano-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;4-isocyano-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;bis(4-methyl-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine);2-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]prop-1-ynyl]pyridine.

Molecular Properties

Compound Name2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-isocyano-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;4-isocyano-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;bis(4-methyl-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine);2-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]prop-1-ynyl]pyridine
PubChem CID159621828
Molecular FormulaC215H323N13O33
Molecular Weight3618.01 g/mol
Exact Mass3615.40
IUPAC Name2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-isocyano-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;4-isocyano-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;bis(4-methyl-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine);2-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]prop-1-ynyl]pyridine
SMILESCC(C#Cc1ccc(OC2CC(OC(C)(C)C)C2)cn1)OCCOC(C)(C)C.CC(C)(C)OC1CC(Oc2ccc(C#CCCOC3CC(C(C)(C)C)C3)nc2)C1.CC(C)(C)OC1CC(Oc2cnc(C#CCCOC3CC(C(C)(C)C)C3)cn2)C1.CC(C)(C)OCCC#Cc1cnc(OC2CC(OC(C)(C)C)C2)cn1.CC(COC(C)(C)C)OCC#Cc1ccc(OC2CC(OC(C)(C)C)C2)cn1.Cc1cc(C#CCCOCCCOC(C)(C)C)ncc1OC1CC(OC(C)(C)C)C1.Cc1cc(C#CCCOCCCOC(C)(C)C)ncc1OC1CC(OC(C)(C)C)C1.[C-]#[N+]c1cc(C#CCCOCCCOC(C)(C)C)ncc1OC1CC(OC(C)(C)C)C1.[C-]#[N+]c1nc(C#CCCOCCCOC(C)(C)C)ccc1OC1CC(OC(C)(C)C)C1
InChIInChI=1S/2C25H36N2O4.2C25H39NO4.C25H37NO3.C24H36N2O3.2C23H35NO4.C20H30N2O3/c1-24(2,3)29-16-10-15-28-14-9-8-11-19-12-13-22(23(26-7)27-19)30-20-17-21(18-20)31-25(4,5)6;1-24(2,3)29-14-10-13-28-12-9-8-11-19-15-22(26-7)23(18-27-19)30-20-16-21(17-20)31-25(4,5)6;2*1-19-15-20(11-8-9-12-27-13-10-14-28-24(2,3)4)26-18-23(19)29-21-16-22(17-21)30-25(5,6)7;1-24(2,3)18-13-21(14-18)27-12-8-7-9-19-10-11-20(17-26-19)28-22-15-23(16-22)29-25(4,5)6;1-23(2,3)17-11-19(12-17)27-10-8-7-9-18-15-26-22(16-25-18)28-20-13-21(14-20)29-24(4,5)6;1-17(25-12-13-26-22(2,3)4)8-9-18-10-11-19(16-24-18)27-20-14-21(15-20)28-23(5,6)7;1-17(16-26-22(2,3)4)25-12-8-9-18-10-11-19(15-24-18)27-20-13-21(14-20)28-23(5,6)7;1-19(2,3)23-10-8-7-9-15-13-22-18(14-21-15)24-16-11-17(12-16)25-20(4,5)6/h12-13,20-21H,9-10,14-18H2,1-6H3;15,18,20-21H,9-10,12-14,16-17H2,1-6H3;2*15,18,21-22H,9-10,12-14,16-17H2,1-7H3;10-11,17-18,21-23H,8,12-16H2,1-6H3;15-17,19-21H,8,10-14H2,1-6H3;10-11,16-17,20-21H,12-15H2,1-7H3;10-11,15,17,20-21H,12-14,16H2,1-7H3;13-14,16-17H,8,10-12H2,1-6H3
InChIKeyMNZGJNBPYSGLSA-UHFFFAOYSA-N
XLogP43.49
TPSA455.10 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds67
Heavy Atoms261
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003618.01
LogP ≤ 543.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-isocyano-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;4-isocyano-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;bis(4-methyl-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine);2-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]prop-1-ynyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-isocyano-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;4-isocyano-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;bis(4-methyl-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine);2-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]prop-1-ynyl]pyridine?
The IUPAC name of 2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-isocyano-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;4-isocyano-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;bis(4-methyl-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine);2-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]prop-1-ynyl]pyridine (CID 159621828) is 2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-isocyano-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;4-isocyano-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;bis(4-methyl-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine);2-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]prop-1-ynyl]pyridine.
What is the SMILES notation for 2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-isocyano-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;4-isocyano-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;bis(4-methyl-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine);2-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]prop-1-ynyl]pyridine?
The canonical SMILES for 2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-isocyano-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;4-isocyano-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;bis(4-methyl-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine);2-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]prop-1-ynyl]pyridine is CC(C#Cc1ccc(OC2CC(OC(C)(C)C)C2)cn1)OCCOC(C)(C)C.CC(C)(C)OC1CC(Oc2ccc(C#CCCOC3CC(C(C)(C)C)C3)nc2)C1.CC(C)(C)OC1CC(Oc2cnc(C#CCCOC3CC(C(C)(C)C)C3)cn2)C1.CC(C)(C)OCCC#Cc1cnc(OC2CC(OC(C)(C)C)C2)cn1.CC(COC(C)(C)C)OCC#Cc1ccc(OC2CC(OC(C)(C)C)C2)cn1.Cc1cc(C#CCCOCCCOC(C)(C)C)ncc1OC1CC(OC(C)(C)C)C1.Cc1cc(C#CCCOCCCOC(C)(C)C)ncc1OC1CC(OC(C)(C)C)C1.[C-]#[N+]c1cc(C#CCCOCCCOC(C)(C)C)ncc1OC1CC(OC(C)(C)C)C1.[C-]#[N+]c1nc(C#CCCOCCCOC(C)(C)C)ccc1OC1CC(OC(C)(C)C)C1.
What is the InChIKey of 2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-isocyano-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;4-isocyano-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;bis(4-methyl-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine);2-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]prop-1-ynyl]pyridine?
The InChIKey is MNZGJNBPYSGLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H36N2O4.2C25H39NO4.C25H37NO3.C24H36N2O3.2C23H35NO4.C20H30N2O3/c1-24(2,3)29-16-10-15-28-14-9-8-11-19-12-13-22(23(26-7)27-19)30-20-17-21(18-20)31-25(4,5)6;1-24(2,3)29-14-10-13-28-12-9-8-11-19-15-22(26-7)23(18-27-19)30-20-16-21(17-20)31-25(4,5)6;2*1-19-15-20(11-8-9-12-27-13-10-14-28-24(2,3)4)26-18-23(19)29-21-16-22(17-21)30-25(5,6)7;1-24(2,3)18-13-21(14-18)27-12-8-7-9-19-10-11-20(17-26-19)28-22-15-23(16-22)29-25(4,5)6;1-23(2,3)17-11-19(12-17)27-10-8-7-9-18-15-26-22(16-25-18)28-20-13-21(14-20)29-24(4,5)6;1-17(25-12-13-26-22(2,3)4)8-9-18-10-11-19(16-24-18)27-20-14-21(15-20)28-23(5,6)7;1-17(16-26-22(2,3)4)25-12-8-9-18-10-11-19(15-24-18)27-20-13-21(14-20)28-23(5,6)7;1-19(2,3)23-10-8-7-9-15-13-22-18(14-21-15)24-16-11-17(12-16)25-20(4,5)6/h12-13,20-21H,9-10,14-18H2,1-6H3;15,18,20-21H,9-10,12-14,16-17H2,1-6H3;2*15,18,21-22H,9-10,12-14,16-17H2,1-7H3;10-11,17-18,21-23H,8,12-16H2,1-6H3;15-17,19-21H,8,10-14H2,1-6H3;10-11,16-17,20-21H,12-15H2,1-7H3;10-11,15,17,20-21H,12-14,16H2,1-7H3;13-14,16-17H,8,10-12H2,1-6H3.
What are the key properties of 2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-isocyano-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;4-isocyano-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;bis(4-methyl-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine);2-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]prop-1-ynyl]pyridine?
2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-isocyano-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;4-isocyano-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;bis(4-methyl-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine);2-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]prop-1-ynyl]pyridine has a molecular weight of 3618.01 g/mol, XLogP of 43.49, 67 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;2-[4-(3-tert-butylcyclobutyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-isocyano-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;4-isocyano-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine;bis(4-methyl-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine);2-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]prop-1-ynyl]pyridine is sourced from PubChem (CID 159621828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).