1-ethoxy-2-methyl-1-[(22S)-4,17,17,22-tetramethyl-18-[4-(1-methylpiperidin-4-yl)morpholin-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]propan-2-ol;methanol

C42H74N2O6 — CID 144550523

About 1-ethoxy-2-methyl-1-[(22S)-4,17,17,22-tetramethyl-18-[4-(1-methylpiperidin-4-yl)morpholin-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]propan-2-ol;methanol

1-ethoxy-2-methyl-1-[(22S)-4,17,17,22-tetramethyl-18-[4-(1-methylpiperidin-4-yl)morpholin-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]propan-2-ol;methanol (PubChem CID 144550523) has the molecular formula C42H74N2O6 and a molecular weight of 703.06 g/mol. Its IUPAC name is 1-ethoxy-2-methyl-1-[(22S)-4,17,17,22-tetramethyl-18-[4-(1-methylpiperidin-4-yl)morpholin-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]propan-2-ol;methanol.

Molecular Properties

• Compound Name: 1-ethoxy-2-methyl-1-[(22S)-4,17,17,22-tetramethyl-18-[4-(1-methylpiperidin-4-yl)morpholin-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]propan-2-ol;methanol
• PubChem CID: 144550523
• Molecular Formula: C42H74N2O6
• Molecular Weight: 703.06 g/mol
• Exact Mass: 702.55
• IUPAC Name: 1-ethoxy-2-methyl-1-[(22S)-4,17,17,22-tetramethyl-18-[4-(1-methylpiperidin-4-yl)morpholin-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]propan-2-ol;methanol
• SMILES: CCOC(C1CCC2C(CC3C4CCC5C(C)(C)C(OC6CN(C7CCN(C)CC7)CCO6)CCC56[C@@H](C)C46CCC23C)O1)C(C)(C)O.CO
• InChI: InChI=1S/C41H70N2O5.CH4O/c1-9-45-36(38(5,6)44)31-12-10-29-32(47-31)24-30-28-11-13-33-37(3,4)34(14-17-41(33)26(2)40(28,41)19-18-39(29,30)7)48-35-25-43(22-23-46-35)27-15-20-42(8)21-16-27;1-2/h26-36,44H,9-25H2,1-8H3;2H,1H3/t26-,28?,29?,30?,31?,32?,33?,34?,35?,36?,39?,40?,41?;/m0./s1
• InChIKey: XRZNKWBHCVXPMI-LWOMSUJKSA-N
• XLogP: 6.36
• TPSA: 83.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.06
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-methyl-1-[(22S)-4,17,17,22-tetramethyl-18-[4-(1-methylpiperidin-4-yl)morpholin-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]propan-2-ol;methanol?

The IUPAC name of 1-ethoxy-2-methyl-1-[(22S)-4,17,17,22-tetramethyl-18-[4-(1-methylpiperidin-4-yl)morpholin-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]propan-2-ol;methanol (CID 144550523) is 1-ethoxy-2-methyl-1-[(22S)-4,17,17,22-tetramethyl-18-[4-(1-methylpiperidin-4-yl)morpholin-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]propan-2-ol;methanol.

What is the SMILES notation for 1-ethoxy-2-methyl-1-[(22S)-4,17,17,22-tetramethyl-18-[4-(1-methylpiperidin-4-yl)morpholin-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]propan-2-ol;methanol?

The canonical SMILES for 1-ethoxy-2-methyl-1-[(22S)-4,17,17,22-tetramethyl-18-[4-(1-methylpiperidin-4-yl)morpholin-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]propan-2-ol;methanol is CCOC(C1CCC2C(CC3C4CCC5C(C)(C)C(OC6CN(C7CCN(C)CC7)CCO6)CCC56[C@@H](C)C46CCC23C)O1)C(C)(C)O.CO.

What is the InChIKey of 1-ethoxy-2-methyl-1-[(22S)-4,17,17,22-tetramethyl-18-[4-(1-methylpiperidin-4-yl)morpholin-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]propan-2-ol;methanol?

The InChIKey is XRZNKWBHCVXPMI-LWOMSUJKSA-N. The full InChI is InChI=1S/C41H70N2O5.CH4O/c1-9-45-36(38(5,6)44)31-12-10-29-32(47-31)24-30-28-11-13-33-37(3,4)34(14-17-41(33)26(2)40(28,41)19-18-39(29,30)7)48-35-25-43(22-23-46-35)27-15-20-42(8)21-16-27;1-2/h26-36,44H,9-25H2,1-8H3;2H,1H3/t26-,28?,29?,30?,31?,32?,33?,34?,35?,36?,39?,40?,41?;/m0./s1.

What are the key properties of 1-ethoxy-2-methyl-1-[(22S)-4,17,17,22-tetramethyl-18-[4-(1-methylpiperidin-4-yl)morpholin-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]propan-2-ol;methanol?

1-ethoxy-2-methyl-1-[(22S)-4,17,17,22-tetramethyl-18-[4-(1-methylpiperidin-4-yl)morpholin-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]propan-2-ol;methanol has a molecular weight of 703.06 g/mol, XLogP of 6.36, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethoxy-2-methyl-1-[(22S)-4,17,17,22-tetramethyl-18-[4-(1-methylpiperidin-4-yl)morpholin-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]propan-2-ol;methanol is sourced from PubChem (CID 144550523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).