18-(4-cyclodecylmorpholin-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

C46H79NO6 — CID 144550722

IUPAC18-(4-cyclodecylmorpholin-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
SMILESCCOC(C1CC(C)C2C(O1)C(O)C1(C)C3CCC4C(C)(C)C(OC5CN(C6CCCCCCCCC6)CCO5)CCC45CC35CCC21C)C(C)(C)O
InChIInChI=1S/C46H79NO6/c1-9-50-40(42(5,6)49)32-27-30(2)37-38(52-32)39(48)44(8)34-20-19-33-41(3,4)35(21-22-45(33)29-46(34,45)24-23-43(37,44)7)53-36-28-47(25-26-51-36)31-17-15-13-11-10-12-14-16-18-31/h30-40,48-49H,9-29H2,1-8H3
InChIKeyVYYJYMZYTZOQLV-UHFFFAOYSA-N
MW742.14 g/mol
LogP8.91
Rot. Bonds7

About 18-(4-cyclodecylmorpholin-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-cyclodecylmorpholin-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 144550722) has the molecular formula C46H79NO6 and a molecular weight of 742.14 g/mol. Its IUPAC name is 18-(4-cyclodecylmorpholin-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 Name18-(4-cyclodecylmorpholin-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 CID144550722
Molecular FormulaC46H79NO6
Molecular Weight742.14 g/mol
Exact Mass741.59
IUPAC Name18-(4-cyclodecylmorpholin-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
SMILESCCOC(C1CC(C)C2C(O1)C(O)C1(C)C3CCC4C(C)(C)C(OC5CN(C6CCCCCCCCC6)CCO5)CCC45CC35CCC21C)C(C)(C)O
InChIInChI=1S/C46H79NO6/c1-9-50-40(42(5,6)49)32-27-30(2)37-38(52-32)39(48)44(8)34-20-19-33-41(3,4)35(21-22-45(33)29-46(34,45)24-23-43(37,44)7)53-36-28-47(25-26-51-36)31-17-15-13-11-10-12-14-16-18-31/h30-40,48-49H,9-29H2,1-8H3
InChIKeyVYYJYMZYTZOQLV-UHFFFAOYSA-N
XLogP8.91
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.14
LogP ≤ 58.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 18-(4-cyclodecylmorpholin-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 18-(4-cyclodecylmorpholin-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-cyclodecylmorpholin-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 144550722) is 18-(4-cyclodecylmorpholin-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-cyclodecylmorpholin-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-cyclodecylmorpholin-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(C6CCCCCCCCC6)CCO5)CCC45CC35CCC21C)C(C)(C)O.
What is the InChIKey of 18-(4-cyclodecylmorpholin-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 VYYJYMZYTZOQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H79NO6/c1-9-50-40(42(5,6)49)32-27-30(2)37-38(52-32)39(48)44(8)34-20-19-33-41(3,4)35(21-22-45(33)29-46(34,45)24-23-43(37,44)7)53-36-28-47(25-26-51-36)31-17-15-13-11-10-12-14-16-18-31/h30-40,48-49H,9-29H2,1-8H3.
What are the key properties of 18-(4-cyclodecylmorpholin-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-cyclodecylmorpholin-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 742.14 g/mol, XLogP of 8.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(4-cyclodecylmorpholin-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 144550722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).