6,12,18,39-tetramethyl-25,29,33,37-tetrapentyl-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene

C56H72O8 — CID 11018354

About 6,12,18,39-tetramethyl-25,29,33,37-tetrapentyl-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene

6,12,18,39-tetramethyl-25,29,33,37-tetrapentyl-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene (PubChem CID 11018354) has the molecular formula C56H72O8 and a molecular weight of 873.18 g/mol. Its IUPAC name is 6,12,18,39-tetramethyl-25,29,33,37-tetrapentyl-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene.

Molecular Properties

• Compound Name: 6,12,18,39-tetramethyl-25,29,33,37-tetrapentyl-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene
• PubChem CID: 11018354
• Molecular Formula: C56H72O8
• Molecular Weight: 873.18 g/mol
• Exact Mass: 872.52
• IUPAC Name: 6,12,18,39-tetramethyl-25,29,33,37-tetrapentyl-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene
• SMILES: CCCCCC1c2cc3c4c(C)c2OCOc2c1cc1c(c2C)OCOc2c(cc5c(c2C)OCOc2c(cc(c(c2C)OCO4)C3CCCCC)C5CCCCC)C1CCCCC
• InChI: InChI=1S/C56H72O8/c1-9-13-17-21-37-41-25-43-38(22-18-14-10-2)45-27-47-40(24-20-16-12-4)48-28-46-39(23-19-15-11-3)44-26-42(37)50-34(6)52(44)60-31-62-54(46)36(8)56(48)64-32-63-55(47)35(7)53(45)61-30-59-51(43)33(5)49(41)57-29-58-50/h25-28,37-40H,9-24,29-32H2,1-8H3
• InChIKey: KSKKHKRMXGSBPB-UHFFFAOYSA-N
• XLogP: 15.00
• TPSA: 73.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	873.18
LogP ≤ 5	15.00
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 6,12,18,39-tetramethyl-25,29,33,37-tetrapentyl-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene?

The IUPAC name of 6,12,18,39-tetramethyl-25,29,33,37-tetrapentyl-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene (CID 11018354) is 6,12,18,39-tetramethyl-25,29,33,37-tetrapentyl-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene.

What is the SMILES notation for 6,12,18,39-tetramethyl-25,29,33,37-tetrapentyl-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene?

The canonical SMILES for 6,12,18,39-tetramethyl-25,29,33,37-tetrapentyl-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene is CCCCCC1c2cc3c4c(C)c2OCOc2c1cc1c(c2C)OCOc2c(cc5c(c2C)OCOc2c(cc(c(c2C)OCO4)C3CCCCC)C5CCCCC)C1CCCCC.

What is the InChIKey of 6,12,18,39-tetramethyl-25,29,33,37-tetrapentyl-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene?

The InChIKey is KSKKHKRMXGSBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H72O8/c1-9-13-17-21-37-41-25-43-38(22-18-14-10-2)45-27-47-40(24-20-16-12-4)48-28-46-39(23-19-15-11-3)44-26-42(37)50-34(6)52(44)60-31-62-54(46)36(8)56(48)64-32-63-55(47)35(7)53(45)61-30-59-51(43)33(5)49(41)57-29-58-50/h25-28,37-40H,9-24,29-32H2,1-8H3.

What are the key properties of 6,12,18,39-tetramethyl-25,29,33,37-tetrapentyl-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene?

6,12,18,39-tetramethyl-25,29,33,37-tetrapentyl-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene has a molecular weight of 873.18 g/mol, XLogP of 15.00, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6,12,18,39-tetramethyl-25,29,33,37-tetrapentyl-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene is sourced from PubChem (CID 11018354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).