1,1-dimethoxyethane;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;5-[1-[[4-[1-(6-hydroxynaphthalen-1-yl)oxyethoxymethyl]cyclohexyl]methoxy]ethoxy]naphthalen-2-ol;1-methoxyethoxybenzene;tris(4-methylphenol);1-methyl-4-[1-[[4-(1-phenoxyethoxymethyl)cyclohexyl]methoxy]ethoxy]benzene;4-methyltricyclo[5.2.1.02,6]decane;bis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);phenol;1-[4-(1-phenoxyethoxy)cyclohexyl]oxyethoxybenzene;toluene;heptakis(tricyclo[5.2.1.02,6]decane)

C305H456O30 — CID 159673023

About 1,1-dimethoxyethane;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;5-[1-[[4-[1-(6-hydroxynaphthalen-1-yl)oxyethoxymethyl]cyclohexyl]methoxy]ethoxy]naphthalen-2-ol;1-methoxyethoxybenzene;tris(4-methylphenol);1-methyl-4-[1-[[4-(1-phenoxyethoxymethyl)cyclohexyl]methoxy]ethoxy]benzene;4-methyltricyclo[5.2.1.02,6]decane;bis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);phenol;1-[4-(1-phenoxyethoxy)cyclohexyl]oxyethoxybenzene;toluene;heptakis(tricyclo[5.2.1.02,6]decane)

1,1-dimethoxyethane;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;5-[1-[[4-[1-(6-hydroxynaphthalen-1-yl)oxyethoxymethyl]cyclohexyl]methoxy]ethoxy]naphthalen-2-ol;1-methoxyethoxybenzene;tris(4-methylphenol);1-methyl-4-[1-[[4-(1-phenoxyethoxymethyl)cyclohexyl]methoxy]ethoxy]benzene;4-methyltricyclo[5.2.1.02,6]decane;bis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);phenol;1-[4-(1-phenoxyethoxy)cyclohexyl]oxyethoxybenzene;toluene;heptakis(tricyclo[5.2.1.02,6]decane) (PubChem CID 159673023) has the molecular formula C305H456O30 and a molecular weight of 4602.97 g/mol. Its IUPAC name is 1,1-dimethoxyethane;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;5-[1-[[4-[1-(6-hydroxynaphthalen-1-yl)oxyethoxymethyl]cyclohexyl]methoxy]ethoxy]naphthalen-2-ol;1-methoxyethoxybenzene;tris(4-methylphenol);1-methyl-4-[1-[[4-(1-phenoxyethoxymethyl)cyclohexyl]methoxy]ethoxy]benzene;4-methyltricyclo[5.2.1.02,6]decane;bis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);phenol;1-[4-(1-phenoxyethoxy)cyclohexyl]oxyethoxybenzene;toluene;heptakis(tricyclo[5.2.1.02,6]decane).

Molecular Properties

• Compound Name: 1,1-dimethoxyethane;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;5-[1-[[4-[1-(6-hydroxynaphthalen-1-yl)oxyethoxymethyl]cyclohexyl]methoxy]ethoxy]naphthalen-2-ol;1-methoxyethoxybenzene;tris(4-methylphenol);1-methyl-4-[1-[[4-(1-phenoxyethoxymethyl)cyclohexyl]methoxy]ethoxy]benzene;4-methyltricyclo[5.2.1.02,6]decane;bis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);phenol;1-[4-(1-phenoxyethoxy)cyclohexyl]oxyethoxybenzene;toluene;heptakis(tricyclo[5.2.1.02,6]decane)
• PubChem CID: 159673023
• Molecular Formula: C305H456O30
• Molecular Weight: 4602.97 g/mol
• Exact Mass: 4599.42
• IUPAC Name: 1,1-dimethoxyethane;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;5-[1-[[4-[1-(6-hydroxynaphthalen-1-yl)oxyethoxymethyl]cyclohexyl]methoxy]ethoxy]naphthalen-2-ol;1-methoxyethoxybenzene;tris(4-methylphenol);1-methyl-4-[1-[[4-(1-phenoxyethoxymethyl)cyclohexyl]methoxy]ethoxy]benzene;4-methyltricyclo[5.2.1.02,6]decane;bis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);phenol;1-[4-(1-phenoxyethoxy)cyclohexyl]oxyethoxybenzene;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(O)ccc23)CC1)Oc1cccc2cc(O)ccc12.CC(Oc1ccccc1)OC1CCC(OC(C)Oc2ccccc2)CC1.CC1CC2C3CCC(C3)C2C1.CCOC(C)OC.CCOC(C)Oc1ccccc1.COC(C)OC.COC(C)Oc1ccccc1.Cc1ccc(O)cc1.Cc1ccc(O)cc1.Cc1ccc(O)cc1.Cc1ccc(OC(C)OCC2CCC(COC(C)Oc3ccccc3)CC2)cc1.Cc1ccccc1.Cc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1
• InChI: InChI=1S/C32H36O6.C25H34O4.C22H28O4.2C15H22.C11H18.C10H14O2.7C10H16.C9H12O2.3C7H8O.2C7H8.5C6H6O.C5H12O2.C4H10O2.11C2H6/c1-21(37-31-7-3-5-25-17-27(33)13-15-29(25)31)35-19-23-9-11-24(12-10-23)20-36-22(2)38-32-8-4-6-26-18-28(34)14-16-30(26)32;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;1-7-4-10-8-2-3-9(6-8)11(10)5-7;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;1-8(10-2)11-9-6-4-3-5-7-9;3*1-6-2-4-7(8)5-3-6;2*1-7-5-3-2-4-6-7;5*7-6-4-2-1-3-5-6;1-4-7-5(2)6-3;1-4(5-2)6-3;11*1-2/h3-8,13-18,21-24,33-34H,9-12,19-20H2,1-2H3;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;7-11H,2-6H2,1H3;4-9H,3H2,1-2H3;7*7-10H,1-6H2;3-8H,1-2H3;3*2-5,8H,1H3;2*2-6H,1H3;5*1-5,7H;5H,4H2,1-3H3;4H,1-3H3;11*1-2H3
• InChIKey: MUFVMGLOOZJWJY-UHFFFAOYSA-N
• XLogP: 82.38
• TPSA: 386.90 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 40
• Heavy Atoms: 335
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4602.97
LogP ≤ 5	82.38
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxyethane;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;5-[1-[[4-[1-(6-hydroxynaphthalen-1-yl)oxyethoxymethyl]cyclohexyl]methoxy]ethoxy]naphthalen-2-ol;1-methoxyethoxybenzene;tris(4-methylphenol);1-methyl-4-[1-[[4-(1-phenoxyethoxymethyl)cyclohexyl]methoxy]ethoxy]benzene;4-methyltricyclo[5.2.1.02,6]decane;bis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);phenol;1-[4-(1-phenoxyethoxy)cyclohexyl]oxyethoxybenzene;toluene;heptakis(tricyclo[5.2.1.02,6]decane)?

The IUPAC name of 1,1-dimethoxyethane;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;5-[1-[[4-[1-(6-hydroxynaphthalen-1-yl)oxyethoxymethyl]cyclohexyl]methoxy]ethoxy]naphthalen-2-ol;1-methoxyethoxybenzene;tris(4-methylphenol);1-methyl-4-[1-[[4-(1-phenoxyethoxymethyl)cyclohexyl]methoxy]ethoxy]benzene;4-methyltricyclo[5.2.1.02,6]decane;bis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);phenol;1-[4-(1-phenoxyethoxy)cyclohexyl]oxyethoxybenzene;toluene;heptakis(tricyclo[5.2.1.02,6]decane) (CID 159673023) is 1,1-dimethoxyethane;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;5-[1-[[4-[1-(6-hydroxynaphthalen-1-yl)oxyethoxymethyl]cyclohexyl]methoxy]ethoxy]naphthalen-2-ol;1-methoxyethoxybenzene;tris(4-methylphenol);1-methyl-4-[1-[[4-(1-phenoxyethoxymethyl)cyclohexyl]methoxy]ethoxy]benzene;4-methyltricyclo[5.2.1.02,6]decane;bis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);phenol;1-[4-(1-phenoxyethoxy)cyclohexyl]oxyethoxybenzene;toluene;heptakis(tricyclo[5.2.1.02,6]decane).

What is the SMILES notation for 1,1-dimethoxyethane;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;5-[1-[[4-[1-(6-hydroxynaphthalen-1-yl)oxyethoxymethyl]cyclohexyl]methoxy]ethoxy]naphthalen-2-ol;1-methoxyethoxybenzene;tris(4-methylphenol);1-methyl-4-[1-[[4-(1-phenoxyethoxymethyl)cyclohexyl]methoxy]ethoxy]benzene;4-methyltricyclo[5.2.1.02,6]decane;bis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);phenol;1-[4-(1-phenoxyethoxy)cyclohexyl]oxyethoxybenzene;toluene;heptakis(tricyclo[5.2.1.02,6]decane)?

The canonical SMILES for 1,1-dimethoxyethane;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;5-[1-[[4-[1-(6-hydroxynaphthalen-1-yl)oxyethoxymethyl]cyclohexyl]methoxy]ethoxy]naphthalen-2-ol;1-methoxyethoxybenzene;tris(4-methylphenol);1-methyl-4-[1-[[4-(1-phenoxyethoxymethyl)cyclohexyl]methoxy]ethoxy]benzene;4-methyltricyclo[5.2.1.02,6]decane;bis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);phenol;1-[4-(1-phenoxyethoxy)cyclohexyl]oxyethoxybenzene;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(O)ccc23)CC1)Oc1cccc2cc(O)ccc12.CC(Oc1ccccc1)OC1CCC(OC(C)Oc2ccccc2)CC1.CC1CC2C3CCC(C3)C2C1.CCOC(C)OC.CCOC(C)Oc1ccccc1.COC(C)OC.COC(C)Oc1ccccc1.Cc1ccc(O)cc1.Cc1ccc(O)cc1.Cc1ccc(O)cc1.Cc1ccc(OC(C)OCC2CCC(COC(C)Oc3ccccc3)CC2)cc1.Cc1ccccc1.Cc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.

What is the InChIKey of 1,1-dimethoxyethane;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;5-[1-[[4-[1-(6-hydroxynaphthalen-1-yl)oxyethoxymethyl]cyclohexyl]methoxy]ethoxy]naphthalen-2-ol;1-methoxyethoxybenzene;tris(4-methylphenol);1-methyl-4-[1-[[4-(1-phenoxyethoxymethyl)cyclohexyl]methoxy]ethoxy]benzene;4-methyltricyclo[5.2.1.02,6]decane;bis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);phenol;1-[4-(1-phenoxyethoxy)cyclohexyl]oxyethoxybenzene;toluene;heptakis(tricyclo[5.2.1.02,6]decane)?

The InChIKey is MUFVMGLOOZJWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36O6.C25H34O4.C22H28O4.2C15H22.C11H18.C10H14O2.7C10H16.C9H12O2.3C7H8O.2C7H8.5C6H6O.C5H12O2.C4H10O2.11C2H6/c1-21(37-31-7-3-5-25-17-27(33)13-15-29(25)31)35-19-23-9-11-24(12-10-23)20-36-22(2)38-32-8-4-6-26-18-28(34)14-16-30(26)32;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;1-7-4-10-8-2-3-9(6-8)11(10)5-7;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;1-8(10-2)11-9-6-4-3-5-7-9;3*1-6-2-4-7(8)5-3-6;2*1-7-5-3-2-4-6-7;5*7-6-4-2-1-3-5-6;1-4-7-5(2)6-3;1-4(5-2)6-3;11*1-2/h3-8,13-18,21-24,33-34H,9-12,19-20H2,1-2H3;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;7-11H,2-6H2,1H3;4-9H,3H2,1-2H3;7*7-10H,1-6H2;3-8H,1-2H3;3*2-5,8H,1H3;2*2-6H,1H3;5*1-5,7H;5H,4H2,1-3H3;4H,1-3H3;11*1-2H3.

What are the key properties of 1,1-dimethoxyethane;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;5-[1-[[4-[1-(6-hydroxynaphthalen-1-yl)oxyethoxymethyl]cyclohexyl]methoxy]ethoxy]naphthalen-2-ol;1-methoxyethoxybenzene;tris(4-methylphenol);1-methyl-4-[1-[[4-(1-phenoxyethoxymethyl)cyclohexyl]methoxy]ethoxy]benzene;4-methyltricyclo[5.2.1.02,6]decane;bis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);phenol;1-[4-(1-phenoxyethoxy)cyclohexyl]oxyethoxybenzene;toluene;heptakis(tricyclo[5.2.1.02,6]decane)?

1,1-dimethoxyethane;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;5-[1-[[4-[1-(6-hydroxynaphthalen-1-yl)oxyethoxymethyl]cyclohexyl]methoxy]ethoxy]naphthalen-2-ol;1-methoxyethoxybenzene;tris(4-methylphenol);1-methyl-4-[1-[[4-(1-phenoxyethoxymethyl)cyclohexyl]methoxy]ethoxy]benzene;4-methyltricyclo[5.2.1.02,6]decane;bis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);phenol;1-[4-(1-phenoxyethoxy)cyclohexyl]oxyethoxybenzene;toluene;heptakis(tricyclo[5.2.1.02,6]decane) has a molecular weight of 4602.97 g/mol, XLogP of 82.38, 40 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-dimethoxyethane;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;5-[1-[[4-[1-(6-hydroxynaphthalen-1-yl)oxyethoxymethyl]cyclohexyl]methoxy]ethoxy]naphthalen-2-ol;1-methoxyethoxybenzene;tris(4-methylphenol);1-methyl-4-[1-[[4-(1-phenoxyethoxymethyl)cyclohexyl]methoxy]ethoxy]benzene;4-methyltricyclo[5.2.1.02,6]decane;bis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);phenol;1-[4-(1-phenoxyethoxy)cyclohexyl]oxyethoxybenzene;toluene;heptakis(tricyclo[5.2.1.02,6]decane) is sourced from PubChem (CID 159673023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).