3-butoxy-7-ethyl-4,6-dimethyldibenzothiophene;4,6-dimethyl-3-propoxy-7-propyldibenzothiophene;3-ethoxy-4,6-dimethyl-7-propyldibenzothiophene;3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene;3-ethyl-4,6-dimethyl-7-pentoxydibenzothiophene;3-ethyl-4,6-dimethyl-7-propoxydibenzothiophene;3-ethyl-7-heptoxy-4,6-dimethyldibenzothiophene;3-ethyl-7-hexoxy-4,6-dimethyldibenzothiophene;3-methoxy-4,6-dimethyl-7-propyldibenzothiophene

C180H216O9S9 — CID 159407630

About 3-butoxy-7-ethyl-4,6-dimethyldibenzothiophene;4,6-dimethyl-3-propoxy-7-propyldibenzothiophene;3-ethoxy-4,6-dimethyl-7-propyldibenzothiophene;3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene;3-ethyl-4,6-dimethyl-7-pentoxydibenzothiophene;3-ethyl-4,6-dimethyl-7-propoxydibenzothiophene;3-ethyl-7-heptoxy-4,6-dimethyldibenzothiophene;3-ethyl-7-hexoxy-4,6-dimethyldibenzothiophene;3-methoxy-4,6-dimethyl-7-propyldibenzothiophene

3-butoxy-7-ethyl-4,6-dimethyldibenzothiophene;4,6-dimethyl-3-propoxy-7-propyldibenzothiophene;3-ethoxy-4,6-dimethyl-7-propyldibenzothiophene;3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene;3-ethyl-4,6-dimethyl-7-pentoxydibenzothiophene;3-ethyl-4,6-dimethyl-7-propoxydibenzothiophene;3-ethyl-7-heptoxy-4,6-dimethyldibenzothiophene;3-ethyl-7-hexoxy-4,6-dimethyldibenzothiophene;3-methoxy-4,6-dimethyl-7-propyldibenzothiophene (PubChem CID 159407630) has the molecular formula C180H216O9S9 and a molecular weight of 2812.30 g/mol. Its IUPAC name is 3-butoxy-7-ethyl-4,6-dimethyldibenzothiophene;4,6-dimethyl-3-propoxy-7-propyldibenzothiophene;3-ethoxy-4,6-dimethyl-7-propyldibenzothiophene;3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene;3-ethyl-4,6-dimethyl-7-pentoxydibenzothiophene;3-ethyl-4,6-dimethyl-7-propoxydibenzothiophene;3-ethyl-7-heptoxy-4,6-dimethyldibenzothiophene;3-ethyl-7-hexoxy-4,6-dimethyldibenzothiophene;3-methoxy-4,6-dimethyl-7-propyldibenzothiophene.

Molecular Properties

• Compound Name: 3-butoxy-7-ethyl-4,6-dimethyldibenzothiophene;4,6-dimethyl-3-propoxy-7-propyldibenzothiophene;3-ethoxy-4,6-dimethyl-7-propyldibenzothiophene;3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene;3-ethyl-4,6-dimethyl-7-pentoxydibenzothiophene;3-ethyl-4,6-dimethyl-7-propoxydibenzothiophene;3-ethyl-7-heptoxy-4,6-dimethyldibenzothiophene;3-ethyl-7-hexoxy-4,6-dimethyldibenzothiophene;3-methoxy-4,6-dimethyl-7-propyldibenzothiophene
• PubChem CID: 159407630
• Molecular Formula: C180H216O9S9
• Molecular Weight: 2812.30 g/mol
• Exact Mass: 2809.39
• IUPAC Name: 3-butoxy-7-ethyl-4,6-dimethyldibenzothiophene;4,6-dimethyl-3-propoxy-7-propyldibenzothiophene;3-ethoxy-4,6-dimethyl-7-propyldibenzothiophene;3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene;3-ethyl-4,6-dimethyl-7-pentoxydibenzothiophene;3-ethyl-4,6-dimethyl-7-propoxydibenzothiophene;3-ethyl-7-heptoxy-4,6-dimethyldibenzothiophene;3-ethyl-7-hexoxy-4,6-dimethyldibenzothiophene;3-methoxy-4,6-dimethyl-7-propyldibenzothiophene
• SMILES: CCCCCCCOc1ccc2c(sc3c(C)c(CC)ccc32)c1C.CCCCCCOc1ccc2c(sc3c(C)c(CC)ccc32)c1C.CCCCCOc1ccc2c(sc3c(C)c(CC)ccc32)c1C.CCCCOc1ccc2c(sc3c(C)c(CC)ccc32)c1C.CCCOc1ccc2c(sc3c(C)c(CC)ccc32)c1C.CCCOc1ccc2c(sc3c(C)c(CCC)ccc32)c1C.CCCc1ccc2c(sc3c(C)c(OC)ccc32)c1C.CCCc1ccc2c(sc3c(C)c(OCC)ccc32)c1C.CCOc1ccc2c(sc3c(C)c(CC)ccc32)c1C
• InChI: InChI=1S/C23H30OS.C22H28OS.C21H26OS.2C20H24OS.2C19H22OS.2C18H20OS/c1-5-7-8-9-10-15-24-21-14-13-20-19-12-11-18(6-2)16(3)22(19)25-23(20)17(21)4;1-5-7-8-9-14-23-20-13-12-19-18-11-10-17(6-2)15(3)21(18)24-22(19)16(20)4;1-5-7-8-13-22-19-12-11-18-17-10-9-16(6-2)14(3)20(17)23-21(18)15(19)4;1-5-7-12-21-18-11-10-17-16-9-8-15(6-2)13(3)19(16)22-20(17)14(18)4;1-5-7-15-8-9-16-17-10-11-18(21-12-6-2)14(4)20(17)22-19(16)13(15)3;1-5-11-20-17-10-9-16-15-8-7-14(6-2)12(3)18(15)21-19(16)13(17)4;1-5-7-14-8-9-15-16-10-11-17(20-6-2)13(4)19(16)21-18(15)12(14)3;1-5-6-13-7-8-14-15-9-10-16(19-4)12(3)18(15)20-17(14)11(13)2;1-5-13-7-8-14-15-9-10-16(19-6-2)12(4)18(15)20-17(14)11(13)3/h11-14H,5-10,15H2,1-4H3;10-13H,5-9,14H2,1-4H3;9-12H,5-8,13H2,1-4H3;2*8-11H,5-7,12H2,1-4H3;7-10H,5-6,11H2,1-4H3;8-11H,5-7H2,1-4H3;2*7-10H,5-6H2,1-4H3
• InChIKey: LODXLHSQJFSNEC-UHFFFAOYSA-N
• XLogP: 57.71
• TPSA: 83.07 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 45
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2812.30
LogP ≤ 5	57.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-7-ethyl-4,6-dimethyldibenzothiophene;4,6-dimethyl-3-propoxy-7-propyldibenzothiophene;3-ethoxy-4,6-dimethyl-7-propyldibenzothiophene;3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene;3-ethyl-4,6-dimethyl-7-pentoxydibenzothiophene;3-ethyl-4,6-dimethyl-7-propoxydibenzothiophene;3-ethyl-7-heptoxy-4,6-dimethyldibenzothiophene;3-ethyl-7-hexoxy-4,6-dimethyldibenzothiophene;3-methoxy-4,6-dimethyl-7-propyldibenzothiophene?

The IUPAC name of 3-butoxy-7-ethyl-4,6-dimethyldibenzothiophene;4,6-dimethyl-3-propoxy-7-propyldibenzothiophene;3-ethoxy-4,6-dimethyl-7-propyldibenzothiophene;3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene;3-ethyl-4,6-dimethyl-7-pentoxydibenzothiophene;3-ethyl-4,6-dimethyl-7-propoxydibenzothiophene;3-ethyl-7-heptoxy-4,6-dimethyldibenzothiophene;3-ethyl-7-hexoxy-4,6-dimethyldibenzothiophene;3-methoxy-4,6-dimethyl-7-propyldibenzothiophene (CID 159407630) is 3-butoxy-7-ethyl-4,6-dimethyldibenzothiophene;4,6-dimethyl-3-propoxy-7-propyldibenzothiophene;3-ethoxy-4,6-dimethyl-7-propyldibenzothiophene;3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene;3-ethyl-4,6-dimethyl-7-pentoxydibenzothiophene;3-ethyl-4,6-dimethyl-7-propoxydibenzothiophene;3-ethyl-7-heptoxy-4,6-dimethyldibenzothiophene;3-ethyl-7-hexoxy-4,6-dimethyldibenzothiophene;3-methoxy-4,6-dimethyl-7-propyldibenzothiophene.

What is the SMILES notation for 3-butoxy-7-ethyl-4,6-dimethyldibenzothiophene;4,6-dimethyl-3-propoxy-7-propyldibenzothiophene;3-ethoxy-4,6-dimethyl-7-propyldibenzothiophene;3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene;3-ethyl-4,6-dimethyl-7-pentoxydibenzothiophene;3-ethyl-4,6-dimethyl-7-propoxydibenzothiophene;3-ethyl-7-heptoxy-4,6-dimethyldibenzothiophene;3-ethyl-7-hexoxy-4,6-dimethyldibenzothiophene;3-methoxy-4,6-dimethyl-7-propyldibenzothiophene?

The canonical SMILES for 3-butoxy-7-ethyl-4,6-dimethyldibenzothiophene;4,6-dimethyl-3-propoxy-7-propyldibenzothiophene;3-ethoxy-4,6-dimethyl-7-propyldibenzothiophene;3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene;3-ethyl-4,6-dimethyl-7-pentoxydibenzothiophene;3-ethyl-4,6-dimethyl-7-propoxydibenzothiophene;3-ethyl-7-heptoxy-4,6-dimethyldibenzothiophene;3-ethyl-7-hexoxy-4,6-dimethyldibenzothiophene;3-methoxy-4,6-dimethyl-7-propyldibenzothiophene is CCCCCCCOc1ccc2c(sc3c(C)c(CC)ccc32)c1C.CCCCCCOc1ccc2c(sc3c(C)c(CC)ccc32)c1C.CCCCCOc1ccc2c(sc3c(C)c(CC)ccc32)c1C.CCCCOc1ccc2c(sc3c(C)c(CC)ccc32)c1C.CCCOc1ccc2c(sc3c(C)c(CC)ccc32)c1C.CCCOc1ccc2c(sc3c(C)c(CCC)ccc32)c1C.CCCc1ccc2c(sc3c(C)c(OC)ccc32)c1C.CCCc1ccc2c(sc3c(C)c(OCC)ccc32)c1C.CCOc1ccc2c(sc3c(C)c(CC)ccc32)c1C.

What is the InChIKey of 3-butoxy-7-ethyl-4,6-dimethyldibenzothiophene;4,6-dimethyl-3-propoxy-7-propyldibenzothiophene;3-ethoxy-4,6-dimethyl-7-propyldibenzothiophene;3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene;3-ethyl-4,6-dimethyl-7-pentoxydibenzothiophene;3-ethyl-4,6-dimethyl-7-propoxydibenzothiophene;3-ethyl-7-heptoxy-4,6-dimethyldibenzothiophene;3-ethyl-7-hexoxy-4,6-dimethyldibenzothiophene;3-methoxy-4,6-dimethyl-7-propyldibenzothiophene?

The InChIKey is LODXLHSQJFSNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30OS.C22H28OS.C21H26OS.2C20H24OS.2C19H22OS.2C18H20OS/c1-5-7-8-9-10-15-24-21-14-13-20-19-12-11-18(6-2)16(3)22(19)25-23(20)17(21)4;1-5-7-8-9-14-23-20-13-12-19-18-11-10-17(6-2)15(3)21(18)24-22(19)16(20)4;1-5-7-8-13-22-19-12-11-18-17-10-9-16(6-2)14(3)20(17)23-21(18)15(19)4;1-5-7-12-21-18-11-10-17-16-9-8-15(6-2)13(3)19(16)22-20(17)14(18)4;1-5-7-15-8-9-16-17-10-11-18(21-12-6-2)14(4)20(17)22-19(16)13(15)3;1-5-11-20-17-10-9-16-15-8-7-14(6-2)12(3)18(15)21-19(16)13(17)4;1-5-7-14-8-9-15-16-10-11-17(20-6-2)13(4)19(16)21-18(15)12(14)3;1-5-6-13-7-8-14-15-9-10-16(19-4)12(3)18(15)20-17(14)11(13)2;1-5-13-7-8-14-15-9-10-16(19-6-2)12(4)18(15)20-17(14)11(13)3/h11-14H,5-10,15H2,1-4H3;10-13H,5-9,14H2,1-4H3;9-12H,5-8,13H2,1-4H3;2*8-11H,5-7,12H2,1-4H3;7-10H,5-6,11H2,1-4H3;8-11H,5-7H2,1-4H3;2*7-10H,5-6H2,1-4H3.

What are the key properties of 3-butoxy-7-ethyl-4,6-dimethyldibenzothiophene;4,6-dimethyl-3-propoxy-7-propyldibenzothiophene;3-ethoxy-4,6-dimethyl-7-propyldibenzothiophene;3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene;3-ethyl-4,6-dimethyl-7-pentoxydibenzothiophene;3-ethyl-4,6-dimethyl-7-propoxydibenzothiophene;3-ethyl-7-heptoxy-4,6-dimethyldibenzothiophene;3-ethyl-7-hexoxy-4,6-dimethyldibenzothiophene;3-methoxy-4,6-dimethyl-7-propyldibenzothiophene?

3-butoxy-7-ethyl-4,6-dimethyldibenzothiophene;4,6-dimethyl-3-propoxy-7-propyldibenzothiophene;3-ethoxy-4,6-dimethyl-7-propyldibenzothiophene;3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene;3-ethyl-4,6-dimethyl-7-pentoxydibenzothiophene;3-ethyl-4,6-dimethyl-7-propoxydibenzothiophene;3-ethyl-7-heptoxy-4,6-dimethyldibenzothiophene;3-ethyl-7-hexoxy-4,6-dimethyldibenzothiophene;3-methoxy-4,6-dimethyl-7-propyldibenzothiophene has a molecular weight of 2812.30 g/mol, XLogP of 57.71, 45 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-butoxy-7-ethyl-4,6-dimethyldibenzothiophene;4,6-dimethyl-3-propoxy-7-propyldibenzothiophene;3-ethoxy-4,6-dimethyl-7-propyldibenzothiophene;3-ethoxy-7-ethyl-4,6-dimethyldibenzothiophene;3-ethyl-4,6-dimethyl-7-pentoxydibenzothiophene;3-ethyl-4,6-dimethyl-7-propoxydibenzothiophene;3-ethyl-7-heptoxy-4,6-dimethyldibenzothiophene;3-ethyl-7-hexoxy-4,6-dimethyldibenzothiophene;3-methoxy-4,6-dimethyl-7-propyldibenzothiophene is sourced from PubChem (CID 159407630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).