1,5,9-trimethyl-10-[2-[(1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl)oxy]ethoxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane

C32H50O8 — CID 4655379

About 1,5,9-trimethyl-10-[2-[(1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl)oxy]ethoxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane

1,5,9-trimethyl-10-[2-[(1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl)oxy]ethoxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane (PubChem CID 4655379) has the molecular formula C32H50O8 and a molecular weight of 562.74 g/mol. Its IUPAC name is 1,5,9-trimethyl-10-[2-[(1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl)oxy]ethoxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane.

Molecular Properties

• Compound Name: 1,5,9-trimethyl-10-[2-[(1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl)oxy]ethoxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane
• PubChem CID: 4655379
• Molecular Formula: C32H50O8
• Molecular Weight: 562.74 g/mol
• Exact Mass: 562.35
• IUPAC Name: 1,5,9-trimethyl-10-[2-[(1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl)oxy]ethoxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane
• SMILES: CC1CCC2C(C)C(OCCOC3OC4OC5(C)CCC6C(C)CCC(C3C)C46O5)OC3OC4(C)CCC1C32O4
• InChI: InChI=1S/C32H50O8/c1-17-7-9-23-19(3)25(35-27-31(23)21(17)11-13-29(5,37-27)39-31)33-15-16-34-26-20(4)24-10-8-18(2)22-12-14-30(6)38-28(36-26)32(22,24)40-30/h17-28H,7-16H2,1-6H3
• InChIKey: ITARMHUQBFBLID-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 73.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.74
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,5,9-trimethyl-10-[2-[(1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl)oxy]ethoxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane?

The IUPAC name of 1,5,9-trimethyl-10-[2-[(1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl)oxy]ethoxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane (CID 4655379) is 1,5,9-trimethyl-10-[2-[(1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl)oxy]ethoxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane.

What is the SMILES notation for 1,5,9-trimethyl-10-[2-[(1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl)oxy]ethoxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane?

The canonical SMILES for 1,5,9-trimethyl-10-[2-[(1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl)oxy]ethoxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane is CC1CCC2C(C)C(OCCOC3OC4OC5(C)CCC6C(C)CCC(C3C)C46O5)OC3OC4(C)CCC1C32O4.

What is the InChIKey of 1,5,9-trimethyl-10-[2-[(1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl)oxy]ethoxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane?

The InChIKey is ITARMHUQBFBLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50O8/c1-17-7-9-23-19(3)25(35-27-31(23)21(17)11-13-29(5,37-27)39-31)33-15-16-34-26-20(4)24-10-8-18(2)22-12-14-30(6)38-28(36-26)32(22,24)40-30/h17-28H,7-16H2,1-6H3.

What are the key properties of 1,5,9-trimethyl-10-[2-[(1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl)oxy]ethoxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane?

1,5,9-trimethyl-10-[2-[(1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl)oxy]ethoxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane has a molecular weight of 562.74 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5,9-trimethyl-10-[2-[(1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl)oxy]ethoxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane is sourced from PubChem (CID 4655379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).