18-[4-(1-cycloheptylethyl)morpholin-2-yl]oxy-8-(1-ethoxy-2-hydroxy-2-methylpropyl)-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-11-ol

C45H77NO6 — CID 144550794

About 18-[4-(1-cycloheptylethyl)morpholin-2-yl]oxy-8-(1-ethoxy-2-hydroxy-2-methylpropyl)-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-11-ol

18-[4-(1-cycloheptylethyl)morpholin-2-yl]oxy-8-(1-ethoxy-2-hydroxy-2-methylpropyl)-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-11-ol (PubChem CID 144550794) has the molecular formula C45H77NO6 and a molecular weight of 728.11 g/mol. Its IUPAC name is 18-[4-(1-cycloheptylethyl)morpholin-2-yl]oxy-8-(1-ethoxy-2-hydroxy-2-methylpropyl)-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-11-ol.

Molecular Properties

• Compound Name: 18-[4-(1-cycloheptylethyl)morpholin-2-yl]oxy-8-(1-ethoxy-2-hydroxy-2-methylpropyl)-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-11-ol
• PubChem CID: 144550794
• Molecular Formula: C45H77NO6
• Molecular Weight: 728.11 g/mol
• Exact Mass: 727.58
• IUPAC Name: 18-[4-(1-cycloheptylethyl)morpholin-2-yl]oxy-8-(1-ethoxy-2-hydroxy-2-methylpropyl)-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-11-ol
• SMILES: CCOC(C1CC(C)C2C(O1)C(O)C1(C)C3CCC4C(C)(C)C(OC5CN(C(C)C6CCCCCC6)CCO5)CCC45CC35CCC21C)C(C)(C)O
• InChI: InChI=1S/C45H77NO6/c1-10-49-39(41(6,7)48)31-25-28(2)36-37(51-31)38(47)43(9)33-18-17-32-40(4,5)34(19-20-44(32)27-45(33,44)22-21-42(36,43)8)52-35-26-46(23-24-50-35)29(3)30-15-13-11-12-14-16-30/h28-39,47-48H,10-27H2,1-9H3
• InChIKey: UHZKYEOSVGZOEO-UHFFFAOYSA-N
• XLogP: 8.38
• TPSA: 80.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	728.11
LogP ≤ 5	8.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 18-[4-(1-cycloheptylethyl)morpholin-2-yl]oxy-8-(1-ethoxy-2-hydroxy-2-methylpropyl)-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-11-ol?

The IUPAC name of 18-[4-(1-cycloheptylethyl)morpholin-2-yl]oxy-8-(1-ethoxy-2-hydroxy-2-methylpropyl)-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-11-ol (CID 144550794) is 18-[4-(1-cycloheptylethyl)morpholin-2-yl]oxy-8-(1-ethoxy-2-hydroxy-2-methylpropyl)-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-11-ol.

What is the SMILES notation for 18-[4-(1-cycloheptylethyl)morpholin-2-yl]oxy-8-(1-ethoxy-2-hydroxy-2-methylpropyl)-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-11-ol?

The canonical SMILES for 18-[4-(1-cycloheptylethyl)morpholin-2-yl]oxy-8-(1-ethoxy-2-hydroxy-2-methylpropyl)-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-11-ol is CCOC(C1CC(C)C2C(O1)C(O)C1(C)C3CCC4C(C)(C)C(OC5CN(C(C)C6CCCCCC6)CCO5)CCC45CC35CCC21C)C(C)(C)O.

What is the InChIKey of 18-[4-(1-cycloheptylethyl)morpholin-2-yl]oxy-8-(1-ethoxy-2-hydroxy-2-methylpropyl)-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-11-ol?

The InChIKey is UHZKYEOSVGZOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H77NO6/c1-10-49-39(41(6,7)48)31-25-28(2)36-37(51-31)38(47)43(9)33-18-17-32-40(4,5)34(19-20-44(32)27-45(33,44)22-21-42(36,43)8)52-35-26-46(23-24-50-35)29(3)30-15-13-11-12-14-16-30/h28-39,47-48H,10-27H2,1-9H3.

What are the key properties of 18-[4-(1-cycloheptylethyl)morpholin-2-yl]oxy-8-(1-ethoxy-2-hydroxy-2-methylpropyl)-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-11-ol?

18-[4-(1-cycloheptylethyl)morpholin-2-yl]oxy-8-(1-ethoxy-2-hydroxy-2-methylpropyl)-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-11-ol has a molecular weight of 728.11 g/mol, XLogP of 8.38, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 18-[4-(1-cycloheptylethyl)morpholin-2-yl]oxy-8-(1-ethoxy-2-hydroxy-2-methylpropyl)-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-11-ol is sourced from PubChem (CID 144550794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).