1,1-dimethoxyethane;2-[(4,4-dimethylcyclohexyl)oxymethyl]oxirane;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;1-methyl-4-[1-[[4-(1-phenoxyethoxymethyl)cyclohexyl]methoxy]ethoxy]benzene;bis(2-[(4-methylphenoxy)methyl]oxirane);4-methyltricyclo[5.2.1.02,6]decane;2-[[5-[1-[[4-[1-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxyethoxymethyl]cyclohexyl]methoxy]ethoxy]naphthalen-2-yl]oxymethyl]oxirane;bis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);1-[4-(1-phenoxyethoxy)cyclohexyl]oxyethoxybenzene;pentakis(2-(phenoxymethyl)oxirane);toluene;heptakis(tricyclo[5.2.1.02,6]decane)

C336H504O40 — CID 162275639

About 1,1-dimethoxyethane;2-[(4,4-dimethylcyclohexyl)oxymethyl]oxirane;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;1-methyl-4-[1-[[4-(1-phenoxyethoxymethyl)cyclohexyl]methoxy]ethoxy]benzene;bis(2-[(4-methylphenoxy)methyl]oxirane);4-methyltricyclo[5.2.1.02,6]decane;2-[[5-[1-[[4-[1-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxyethoxymethyl]cyclohexyl]methoxy]ethoxy]naphthalen-2-yl]oxymethyl]oxirane;bis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);1-[4-(1-phenoxyethoxy)cyclohexyl]oxyethoxybenzene;pentakis(2-(phenoxymethyl)oxirane);toluene;heptakis(tricyclo[5.2.1.02,6]decane)

1,1-dimethoxyethane;2-[(4,4-dimethylcyclohexyl)oxymethyl]oxirane;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;1-methyl-4-[1-[[4-(1-phenoxyethoxymethyl)cyclohexyl]methoxy]ethoxy]benzene;bis(2-[(4-methylphenoxy)methyl]oxirane);4-methyltricyclo[5.2.1.02,6]decane;2-[[5-[1-[[4-[1-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxyethoxymethyl]cyclohexyl]methoxy]ethoxy]naphthalen-2-yl]oxymethyl]oxirane;bis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);1-[4-(1-phenoxyethoxy)cyclohexyl]oxyethoxybenzene;pentakis(2-(phenoxymethyl)oxirane);toluene;heptakis(tricyclo[5.2.1.02,6]decane) (PubChem CID 162275639) has the molecular formula C336H504O40 and a molecular weight of 5183.69 g/mol. Its IUPAC name is 1,1-dimethoxyethane;2-[(4,4-dimethylcyclohexyl)oxymethyl]oxirane;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;1-methyl-4-[1-[[4-(1-phenoxyethoxymethyl)cyclohexyl]methoxy]ethoxy]benzene;bis(2-[(4-methylphenoxy)methyl]oxirane);4-methyltricyclo[5.2.1.02,6]decane;2-[[5-[1-[[4-[1-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxyethoxymethyl]cyclohexyl]methoxy]ethoxy]naphthalen-2-yl]oxymethyl]oxirane;bis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);1-[4-(1-phenoxyethoxy)cyclohexyl]oxyethoxybenzene;pentakis(2-(phenoxymethyl)oxirane);toluene;heptakis(tricyclo[5.2.1.02,6]decane).

Molecular Properties

• Compound Name: 1,1-dimethoxyethane;2-[(4,4-dimethylcyclohexyl)oxymethyl]oxirane;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;1-methyl-4-[1-[[4-(1-phenoxyethoxymethyl)cyclohexyl]methoxy]ethoxy]benzene;bis(2-[(4-methylphenoxy)methyl]oxirane);4-methyltricyclo[5.2.1.02,6]decane;2-[[5-[1-[[4-[1-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxyethoxymethyl]cyclohexyl]methoxy]ethoxy]naphthalen-2-yl]oxymethyl]oxirane;bis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);1-[4-(1-phenoxyethoxy)cyclohexyl]oxyethoxybenzene;pentakis(2-(phenoxymethyl)oxirane);toluene;heptakis(tricyclo[5.2.1.02,6]decane)
• PubChem CID: 162275639
• Molecular Formula: C336H504O40
• Molecular Weight: 5183.69 g/mol
• Exact Mass: 5179.74
• IUPAC Name: 1,1-dimethoxyethane;2-[(4,4-dimethylcyclohexyl)oxymethyl]oxirane;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;1-methyl-4-[1-[[4-(1-phenoxyethoxymethyl)cyclohexyl]methoxy]ethoxy]benzene;bis(2-[(4-methylphenoxy)methyl]oxirane);4-methyltricyclo[5.2.1.02,6]decane;2-[[5-[1-[[4-[1-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxyethoxymethyl]cyclohexyl]methoxy]ethoxy]naphthalen-2-yl]oxymethyl]oxirane;bis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);1-[4-(1-phenoxyethoxy)cyclohexyl]oxyethoxybenzene;pentakis(2-(phenoxymethyl)oxirane);toluene;heptakis(tricyclo[5.2.1.02,6]decane)
• SMILES: C1CC2C(C1)C1CC2C2C3CCC(C3)C12.C1CC2C(C1)C1CC2C2C3CCC(C3)C12.C1CC2C3CCC(C3)C2C1.C1CC2C3CCC(C3)C2C1.C1CC2C3CCC(C3)C2C1.C1CC2C3CCC(C3)C2C1.C1CC2C3CCC(C3)C2C1.C1CC2C3CCC(C3)C2C1.C1CC2C3CCC(C3)C2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(OCC1CCC(COC(C)Oc2cccc3cc(OCC4CO4)ccc23)CC1)Oc1cccc2cc(OCC3CO3)ccc12.CC(Oc1ccccc1)OC1CCC(OC(C)Oc2ccccc2)CC1.CC1(C)CCC(OCC2CO2)CC1.CC1CC2C3CCC(C3)C2C1.CCOC(C)OC.CCOC(C)Oc1ccccc1.COC(C)OC.COC(C)Oc1ccccc1.Cc1ccc(OC(C)OCC2CCC(COC(C)Oc3ccccc3)CC2)cc1.Cc1ccc(OCC2CO2)cc1.Cc1ccc(OCC2CO2)cc1.Cc1ccccc1.Cc1ccccc1.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1
• InChI: InChI=1S/C38H44O8.C25H34O4.C22H28O4.2C15H22.C11H20O2.C11H18.2C10H12O2.C10H14O2.7C10H16.5C9H10O2.C9H12O2.2C7H8.C5H12O2.C4H10O2.11C2H6/c1-25(45-37-7-3-5-29-17-31(13-15-35(29)37)41-21-33-23-43-33)39-19-27-9-11-28(12-10-27)20-40-26(2)46-38-8-4-6-30-18-32(14-16-36(30)38)42-22-34-24-44-34;1-19-9-15-25(16-10-19)29-21(3)27-18-23-13-11-22(12-14-23)17-26-20(2)28-24-7-5-4-6-8-24;1-17(23-19-9-5-3-6-10-19)25-21-13-15-22(16-14-21)26-18(2)24-20-11-7-4-8-12-20;2*1-2-10-11(3-1)13-7-12(10)14-8-4-5-9(6-8)15(13)14;1-11(2)5-3-9(4-6-11)12-7-10-8-13-10;1-7-4-10-8-2-3-9(6-8)11(10)5-7;2*1-8-2-4-9(5-3-8)11-6-10-7-12-10;1-3-11-9(2)12-10-7-5-4-6-8-10;7*1-2-9-7-4-5-8(6-7)10(9)3-1;5*1-2-4-8(5-3-1)10-6-9-7-11-9;1-8(10-2)11-9-6-4-3-5-7-9;2*1-7-5-3-2-4-6-7;1-4-7-5(2)6-3;1-4(5-2)6-3;11*1-2/h3-8,13-18,25-28,33-34H,9-12,19-24H2,1-2H3;4-10,15-16,20-23H,11-14,17-18H2,1-3H3;3-12,17-18,21-22H,13-16H2,1-2H3;2*8-15H,1-7H2;9-10H,3-8H2,1-2H3;7-11H,2-6H2,1H3;2*2-5,10H,6-7H2,1H3;4-9H,3H2,1-2H3;7*7-10H,1-6H2;5*1-5,9H,6-7H2;3-8H,1-2H3;2*2-6H,1H3;5H,4H2,1-3H3;4H,1-3H3;11*1-2H3
• InChIKey: MUHOKGBBIIXQIQ-UHFFFAOYSA-N
• XLogP: 83.70
• TPSA: 402.20 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 70
• Heavy Atoms: 376
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5183.69
LogP ≤ 5	83.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxyethane;2-[(4,4-dimethylcyclohexyl)oxymethyl]oxirane;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;1-methyl-4-[1-[[4-(1-phenoxyethoxymethyl)cyclohexyl]methoxy]ethoxy]benzene;bis(2-[(4-methylphenoxy)methyl]oxirane);4-methyltricyclo[5.2.1.02,6]decane;2-[[5-[1-[[4-[1-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxyethoxymethyl]cyclohexyl]methoxy]ethoxy]naphthalen-2-yl]oxymethyl]oxirane;bis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);1-[4-(1-phenoxyethoxy)cyclohexyl]oxyethoxybenzene;pentakis(2-(phenoxymethyl)oxirane);toluene;heptakis(tricyclo[5.2.1.02,6]decane)?

The IUPAC name of 1,1-dimethoxyethane;2-[(4,4-dimethylcyclohexyl)oxymethyl]oxirane;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;1-methyl-4-[1-[[4-(1-phenoxyethoxymethyl)cyclohexyl]methoxy]ethoxy]benzene;bis(2-[(4-methylphenoxy)methyl]oxirane);4-methyltricyclo[5.2.1.02,6]decane;2-[[5-[1-[[4-[1-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxyethoxymethyl]cyclohexyl]methoxy]ethoxy]naphthalen-2-yl]oxymethyl]oxirane;bis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);1-[4-(1-phenoxyethoxy)cyclohexyl]oxyethoxybenzene;pentakis(2-(phenoxymethyl)oxirane);toluene;heptakis(tricyclo[5.2.1.02,6]decane) (CID 162275639) is 1,1-dimethoxyethane;2-[(4,4-dimethylcyclohexyl)oxymethyl]oxirane;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;1-methyl-4-[1-[[4-(1-phenoxyethoxymethyl)cyclohexyl]methoxy]ethoxy]benzene;bis(2-[(4-methylphenoxy)methyl]oxirane);4-methyltricyclo[5.2.1.02,6]decane;2-[[5-[1-[[4-[1-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxyethoxymethyl]cyclohexyl]methoxy]ethoxy]naphthalen-2-yl]oxymethyl]oxirane;bis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);1-[4-(1-phenoxyethoxy)cyclohexyl]oxyethoxybenzene;pentakis(2-(phenoxymethyl)oxirane);toluene;heptakis(tricyclo[5.2.1.02,6]decane).

What is the SMILES notation for 1,1-dimethoxyethane;2-[(4,4-dimethylcyclohexyl)oxymethyl]oxirane;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;1-methyl-4-[1-[[4-(1-phenoxyethoxymethyl)cyclohexyl]methoxy]ethoxy]benzene;bis(2-[(4-methylphenoxy)methyl]oxirane);4-methyltricyclo[5.2.1.02,6]decane;2-[[5-[1-[[4-[1-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxyethoxymethyl]cyclohexyl]methoxy]ethoxy]naphthalen-2-yl]oxymethyl]oxirane;bis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);1-[4-(1-phenoxyethoxy)cyclohexyl]oxyethoxybenzene;pentakis(2-(phenoxymethyl)oxirane);toluene;heptakis(tricyclo[5.2.1.02,6]decane)?

The canonical SMILES for 1,1-dimethoxyethane;2-[(4,4-dimethylcyclohexyl)oxymethyl]oxirane;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;1-methyl-4-[1-[[4-(1-phenoxyethoxymethyl)cyclohexyl]methoxy]ethoxy]benzene;bis(2-[(4-methylphenoxy)methyl]oxirane);4-methyltricyclo[5.2.1.02,6]decane;2-[[5-[1-[[4-[1-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxyethoxymethyl]cyclohexyl]methoxy]ethoxy]naphthalen-2-yl]oxymethyl]oxirane;bis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);1-[4-(1-phenoxyethoxy)cyclohexyl]oxyethoxybenzene;pentakis(2-(phenoxymethyl)oxirane);toluene;heptakis(tricyclo[5.2.1.02,6]decane) is C1CC2C(C1)C1CC2C2C3CCC(C3)C12.C1CC2C(C1)C1CC2C2C3CCC(C3)C12.C1CC2C3CCC(C3)C2C1.C1CC2C3CCC(C3)C2C1.C1CC2C3CCC(C3)C2C1.C1CC2C3CCC(C3)C2C1.C1CC2C3CCC(C3)C2C1.C1CC2C3CCC(C3)C2C1.C1CC2C3CCC(C3)C2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(OCC1CCC(COC(C)Oc2cccc3cc(OCC4CO4)ccc23)CC1)Oc1cccc2cc(OCC3CO3)ccc12.CC(Oc1ccccc1)OC1CCC(OC(C)Oc2ccccc2)CC1.CC1(C)CCC(OCC2CO2)CC1.CC1CC2C3CCC(C3)C2C1.CCOC(C)OC.CCOC(C)Oc1ccccc1.COC(C)OC.COC(C)Oc1ccccc1.Cc1ccc(OC(C)OCC2CCC(COC(C)Oc3ccccc3)CC2)cc1.Cc1ccc(OCC2CO2)cc1.Cc1ccc(OCC2CO2)cc1.Cc1ccccc1.Cc1ccccc1.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1.c1ccc(OCC2CO2)cc1.

What is the InChIKey of 1,1-dimethoxyethane;2-[(4,4-dimethylcyclohexyl)oxymethyl]oxirane;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;1-methyl-4-[1-[[4-(1-phenoxyethoxymethyl)cyclohexyl]methoxy]ethoxy]benzene;bis(2-[(4-methylphenoxy)methyl]oxirane);4-methyltricyclo[5.2.1.02,6]decane;2-[[5-[1-[[4-[1-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxyethoxymethyl]cyclohexyl]methoxy]ethoxy]naphthalen-2-yl]oxymethyl]oxirane;bis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);1-[4-(1-phenoxyethoxy)cyclohexyl]oxyethoxybenzene;pentakis(2-(phenoxymethyl)oxirane);toluene;heptakis(tricyclo[5.2.1.02,6]decane)?

The InChIKey is MUHOKGBBIIXQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44O8.C25H34O4.C22H28O4.2C15H22.C11H20O2.C11H18.2C10H12O2.C10H14O2.7C10H16.5C9H10O2.C9H12O2.2C7H8.C5H12O2.C4H10O2.11C2H6/c1-25(45-37-7-3-5-29-17-31(13-15-35(29)37)41-21-33-23-43-33)39-19-27-9-11-28(12-10-27)20-40-26(2)46-38-8-4-6-30-18-32(14-16-36(30)38)42-22-34-24-44-34;1-19-9-15-25(16-10-19)29-21(3)27-18-23-13-11-22(12-14-23)17-26-20(2)28-24-7-5-4-6-8-24;1-17(23-19-9-5-3-6-10-19)25-21-13-15-22(16-14-21)26-18(2)24-20-11-7-4-8-12-20;2*1-2-10-11(3-1)13-7-12(10)14-8-4-5-9(6-8)15(13)14;1-11(2)5-3-9(4-6-11)12-7-10-8-13-10;1-7-4-10-8-2-3-9(6-8)11(10)5-7;2*1-8-2-4-9(5-3-8)11-6-10-7-12-10;1-3-11-9(2)12-10-7-5-4-6-8-10;7*1-2-9-7-4-5-8(6-7)10(9)3-1;5*1-2-4-8(5-3-1)10-6-9-7-11-9;1-8(10-2)11-9-6-4-3-5-7-9;2*1-7-5-3-2-4-6-7;1-4-7-5(2)6-3;1-4(5-2)6-3;11*1-2/h3-8,13-18,25-28,33-34H,9-12,19-24H2,1-2H3;4-10,15-16,20-23H,11-14,17-18H2,1-3H3;3-12,17-18,21-22H,13-16H2,1-2H3;2*8-15H,1-7H2;9-10H,3-8H2,1-2H3;7-11H,2-6H2,1H3;2*2-5,10H,6-7H2,1H3;4-9H,3H2,1-2H3;7*7-10H,1-6H2;5*1-5,9H,6-7H2;3-8H,1-2H3;2*2-6H,1H3;5H,4H2,1-3H3;4H,1-3H3;11*1-2H3.

What are the key properties of 1,1-dimethoxyethane;2-[(4,4-dimethylcyclohexyl)oxymethyl]oxirane;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;1-methyl-4-[1-[[4-(1-phenoxyethoxymethyl)cyclohexyl]methoxy]ethoxy]benzene;bis(2-[(4-methylphenoxy)methyl]oxirane);4-methyltricyclo[5.2.1.02,6]decane;2-[[5-[1-[[4-[1-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxyethoxymethyl]cyclohexyl]methoxy]ethoxy]naphthalen-2-yl]oxymethyl]oxirane;bis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);1-[4-(1-phenoxyethoxy)cyclohexyl]oxyethoxybenzene;pentakis(2-(phenoxymethyl)oxirane);toluene;heptakis(tricyclo[5.2.1.02,6]decane)?

1,1-dimethoxyethane;2-[(4,4-dimethylcyclohexyl)oxymethyl]oxirane;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;1-methyl-4-[1-[[4-(1-phenoxyethoxymethyl)cyclohexyl]methoxy]ethoxy]benzene;bis(2-[(4-methylphenoxy)methyl]oxirane);4-methyltricyclo[5.2.1.02,6]decane;2-[[5-[1-[[4-[1-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxyethoxymethyl]cyclohexyl]methoxy]ethoxy]naphthalen-2-yl]oxymethyl]oxirane;bis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);1-[4-(1-phenoxyethoxy)cyclohexyl]oxyethoxybenzene;pentakis(2-(phenoxymethyl)oxirane);toluene;heptakis(tricyclo[5.2.1.02,6]decane) has a molecular weight of 5183.69 g/mol, XLogP of 83.70, 70 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-dimethoxyethane;2-[(4,4-dimethylcyclohexyl)oxymethyl]oxirane;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;1-methyl-4-[1-[[4-(1-phenoxyethoxymethyl)cyclohexyl]methoxy]ethoxy]benzene;bis(2-[(4-methylphenoxy)methyl]oxirane);4-methyltricyclo[5.2.1.02,6]decane;2-[[5-[1-[[4-[1-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxyethoxymethyl]cyclohexyl]methoxy]ethoxy]naphthalen-2-yl]oxymethyl]oxirane;bis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);1-[4-(1-phenoxyethoxy)cyclohexyl]oxyethoxybenzene;pentakis(2-(phenoxymethyl)oxirane);toluene;heptakis(tricyclo[5.2.1.02,6]decane) is sourced from PubChem (CID 162275639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).