8,9,17,18,26,27,35,36,44,45-decamethyl-4,13,22,31,40-pentamethylidene-2,6,11,15,20,24,29,33,38,42-decaoxahexacyclo[41.2.2.27,10.216,19.225,28.234,37]pentapentaconta-1(45),7,9,16,18,25,27,34,36,43,46,48,50,52,54-pentadecaene

C60H70O10 — CID 101066722

About 8,9,17,18,26,27,35,36,44,45-decamethyl-4,13,22,31,40-pentamethylidene-2,6,11,15,20,24,29,33,38,42-decaoxahexacyclo[41.2.2.27,10.216,19.225,28.234,37]pentapentaconta-1(45),7,9,16,18,25,27,34,36,43,46,48,50,52,54-pentadecaene

8,9,17,18,26,27,35,36,44,45-decamethyl-4,13,22,31,40-pentamethylidene-2,6,11,15,20,24,29,33,38,42-decaoxahexacyclo[41.2.2.27,10.216,19.225,28.234,37]pentapentaconta-1(45),7,9,16,18,25,27,34,36,43,46,48,50,52,54-pentadecaene (PubChem CID 101066722) has the molecular formula C60H70O10 and a molecular weight of 951.21 g/mol. Its IUPAC name is 8,9,17,18,26,27,35,36,44,45-decamethyl-4,13,22,31,40-pentamethylidene-2,6,11,15,20,24,29,33,38,42-decaoxahexacyclo[41.2.2.27,10.216,19.225,28.234,37]pentapentaconta-1(45),7,9,16,18,25,27,34,36,43,46,48,50,52,54-pentadecaene.

Molecular Properties

• Compound Name: 8,9,17,18,26,27,35,36,44,45-decamethyl-4,13,22,31,40-pentamethylidene-2,6,11,15,20,24,29,33,38,42-decaoxahexacyclo[41.2.2.27,10.216,19.225,28.234,37]pentapentaconta-1(45),7,9,16,18,25,27,34,36,43,46,48,50,52,54-pentadecaene
• PubChem CID: 101066722
• Molecular Formula: C60H70O10
• Molecular Weight: 951.21 g/mol
• Exact Mass: 950.50
• IUPAC Name: 8,9,17,18,26,27,35,36,44,45-decamethyl-4,13,22,31,40-pentamethylidene-2,6,11,15,20,24,29,33,38,42-decaoxahexacyclo[41.2.2.27,10.216,19.225,28.234,37]pentapentaconta-1(45),7,9,16,18,25,27,34,36,43,46,48,50,52,54-pentadecaene
• SMILES: C=C1COc2ccc(c(C)c2C)OCC(=C)COc2ccc(c(C)c2C)OCC(=C)COc2ccc(c(C)c2C)OCC(=C)COc2ccc(c(C)c2C)OCC(=C)COc2ccc(c(C)c2C)OC1
• InChI: InChI=1S/C60H70O10/c1-36-26-61-51-16-18-53(43(8)41(51)6)63-28-37(2)30-65-55-20-22-57(47(12)45(55)10)67-32-39(4)34-69-59-24-25-60(50(15)49(59)14)70-35-40(5)33-68-58-23-21-56(46(11)48(58)13)66-31-38(3)29-64-54-19-17-52(62-27-36)42(7)44(54)9/h16-25H,1-5,26-35H2,6-15H3
• InChIKey: MCVVNUJQJAGHFA-UHFFFAOYSA-N
• XLogP: 13.15
• TPSA: 92.30 Ų
• H-Bond Acceptors: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	951.21
LogP ≤ 5	13.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8,9,17,18,26,27,35,36,44,45-decamethyl-4,13,22,31,40-pentamethylidene-2,6,11,15,20,24,29,33,38,42-decaoxahexacyclo[41.2.2.27,10.216,19.225,28.234,37]pentapentaconta-1(45),7,9,16,18,25,27,34,36,43,46,48,50,52,54-pentadecaene?

The IUPAC name of 8,9,17,18,26,27,35,36,44,45-decamethyl-4,13,22,31,40-pentamethylidene-2,6,11,15,20,24,29,33,38,42-decaoxahexacyclo[41.2.2.27,10.216,19.225,28.234,37]pentapentaconta-1(45),7,9,16,18,25,27,34,36,43,46,48,50,52,54-pentadecaene (CID 101066722) is 8,9,17,18,26,27,35,36,44,45-decamethyl-4,13,22,31,40-pentamethylidene-2,6,11,15,20,24,29,33,38,42-decaoxahexacyclo[41.2.2.27,10.216,19.225,28.234,37]pentapentaconta-1(45),7,9,16,18,25,27,34,36,43,46,48,50,52,54-pentadecaene.

What is the SMILES notation for 8,9,17,18,26,27,35,36,44,45-decamethyl-4,13,22,31,40-pentamethylidene-2,6,11,15,20,24,29,33,38,42-decaoxahexacyclo[41.2.2.27,10.216,19.225,28.234,37]pentapentaconta-1(45),7,9,16,18,25,27,34,36,43,46,48,50,52,54-pentadecaene?

The canonical SMILES for 8,9,17,18,26,27,35,36,44,45-decamethyl-4,13,22,31,40-pentamethylidene-2,6,11,15,20,24,29,33,38,42-decaoxahexacyclo[41.2.2.27,10.216,19.225,28.234,37]pentapentaconta-1(45),7,9,16,18,25,27,34,36,43,46,48,50,52,54-pentadecaene is C=C1COc2ccc(c(C)c2C)OCC(=C)COc2ccc(c(C)c2C)OCC(=C)COc2ccc(c(C)c2C)OCC(=C)COc2ccc(c(C)c2C)OCC(=C)COc2ccc(c(C)c2C)OC1.

What is the InChIKey of 8,9,17,18,26,27,35,36,44,45-decamethyl-4,13,22,31,40-pentamethylidene-2,6,11,15,20,24,29,33,38,42-decaoxahexacyclo[41.2.2.27,10.216,19.225,28.234,37]pentapentaconta-1(45),7,9,16,18,25,27,34,36,43,46,48,50,52,54-pentadecaene?

The InChIKey is MCVVNUJQJAGHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H70O10/c1-36-26-61-51-16-18-53(43(8)41(51)6)63-28-37(2)30-65-55-20-22-57(47(12)45(55)10)67-32-39(4)34-69-59-24-25-60(50(15)49(59)14)70-35-40(5)33-68-58-23-21-56(46(11)48(58)13)66-31-38(3)29-64-54-19-17-52(62-27-36)42(7)44(54)9/h16-25H,1-5,26-35H2,6-15H3.

What are the key properties of 8,9,17,18,26,27,35,36,44,45-decamethyl-4,13,22,31,40-pentamethylidene-2,6,11,15,20,24,29,33,38,42-decaoxahexacyclo[41.2.2.27,10.216,19.225,28.234,37]pentapentaconta-1(45),7,9,16,18,25,27,34,36,43,46,48,50,52,54-pentadecaene?

8,9,17,18,26,27,35,36,44,45-decamethyl-4,13,22,31,40-pentamethylidene-2,6,11,15,20,24,29,33,38,42-decaoxahexacyclo[41.2.2.27,10.216,19.225,28.234,37]pentapentaconta-1(45),7,9,16,18,25,27,34,36,43,46,48,50,52,54-pentadecaene has a molecular weight of 951.21 g/mol, XLogP of 13.15, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8,9,17,18,26,27,35,36,44,45-decamethyl-4,13,22,31,40-pentamethylidene-2,6,11,15,20,24,29,33,38,42-decaoxahexacyclo[41.2.2.27,10.216,19.225,28.234,37]pentapentaconta-1(45),7,9,16,18,25,27,34,36,43,46,48,50,52,54-pentadecaene is sourced from PubChem (CID 101066722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).