22-[2-(2,6-dimethylphenyl)-3-(14,14-dimethyl-11-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)propyl]-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaene

C68H56O2 — CID 146436730

About 22-[2-(2,6-dimethylphenyl)-3-(14,14-dimethyl-11-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)propyl]-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaene

22-[2-(2,6-dimethylphenyl)-3-(14,14-dimethyl-11-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)propyl]-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaene (PubChem CID 146436730) has the molecular formula C68H56O2 and a molecular weight of 905.19 g/mol. Its IUPAC name is 22-[2-(2,6-dimethylphenyl)-3-(14,14-dimethyl-11-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)propyl]-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaene.

Molecular Properties

• Compound Name: 22-[2-(2,6-dimethylphenyl)-3-(14,14-dimethyl-11-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)propyl]-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaene
• PubChem CID: 146436730
• Molecular Formula: C68H56O2
• Molecular Weight: 905.19 g/mol
• Exact Mass: 904.43
• IUPAC Name: 22-[2-(2,6-dimethylphenyl)-3-(14,14-dimethyl-11-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)propyl]-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaene
• SMILES: Cc1cccc(C)c1C(Cc1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1ccc2oc4ccccc4c2c1-3)Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccccc3)c3oc4ccccc4c3c1-2
• InChI: InChI=1S/C68H56O2/c1-38-17-16-18-39(2)60(38)43(32-41-26-28-45-53(34-41)68(7,8)56-35-48(42-19-10-9-11-20-42)65-64(61(45)56)47-22-13-15-24-58(47)70-65)31-40-25-27-44-49-36-55-50(37-54(49)67(5,6)52(44)33-40)62-51(66(55,3)4)29-30-59-63(62)46-21-12-14-23-57(46)69-59/h9-30,33-37,43H,31-32H2,1-8H3
• InChIKey: ANFFUKDBZINBOF-UHFFFAOYSA-N
• XLogP: 18.26
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	905.19
LogP ≤ 5	18.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 22-[2-(2,6-dimethylphenyl)-3-(14,14-dimethyl-11-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)propyl]-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaene?

The IUPAC name of 22-[2-(2,6-dimethylphenyl)-3-(14,14-dimethyl-11-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)propyl]-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaene (CID 146436730) is 22-[2-(2,6-dimethylphenyl)-3-(14,14-dimethyl-11-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)propyl]-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaene.

What is the SMILES notation for 22-[2-(2,6-dimethylphenyl)-3-(14,14-dimethyl-11-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)propyl]-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaene?

The canonical SMILES for 22-[2-(2,6-dimethylphenyl)-3-(14,14-dimethyl-11-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)propyl]-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaene is Cc1cccc(C)c1C(Cc1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1ccc2oc4ccccc4c2c1-3)Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccccc3)c3oc4ccccc4c3c1-2.

What is the InChIKey of 22-[2-(2,6-dimethylphenyl)-3-(14,14-dimethyl-11-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)propyl]-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaene?

The InChIKey is ANFFUKDBZINBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H56O2/c1-38-17-16-18-39(2)60(38)43(32-41-26-28-45-53(34-41)68(7,8)56-35-48(42-19-10-9-11-20-42)65-64(61(45)56)47-22-13-15-24-58(47)70-65)31-40-25-27-44-49-36-55-50(37-54(49)67(5,6)52(44)33-40)62-51(66(55,3)4)29-30-59-63(62)46-21-12-14-23-57(46)69-59/h9-30,33-37,43H,31-32H2,1-8H3.

What are the key properties of 22-[2-(2,6-dimethylphenyl)-3-(14,14-dimethyl-11-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)propyl]-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaene?

22-[2-(2,6-dimethylphenyl)-3-(14,14-dimethyl-11-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)propyl]-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaene has a molecular weight of 905.19 g/mol, XLogP of 18.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 22-[2-(2,6-dimethylphenyl)-3-(14,14-dimethyl-11-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)propyl]-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaene is sourced from PubChem (CID 146436730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).