7,17-dibutyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;7,17-diethyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;bis(7,17-dimethyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene);7,17-dipentyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;7,17-dipropyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;tris(18-methyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(13),2(10),3,5(9),7,11,14,16,18,20-decaene)

C215H178O9 — CID 158283224

About 7,17-dibutyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;7,17-diethyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;bis(7,17-dimethyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene);7,17-dipentyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;7,17-dipropyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;tris(18-methyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(13),2(10),3,5(9),7,11,14,16,18,20-decaene)

7,17-dibutyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;7,17-diethyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;bis(7,17-dimethyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene);7,17-dipentyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;7,17-dipropyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;tris(18-methyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(13),2(10),3,5(9),7,11,14,16,18,20-decaene) (PubChem CID 158283224) has the molecular formula C215H178O9 and a molecular weight of 2905.78 g/mol. Its IUPAC name is 7,17-dibutyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;7,17-diethyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;bis(7,17-dimethyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene);7,17-dipentyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;7,17-dipropyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;tris(18-methyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(13),2(10),3,5(9),7,11,14,16,18,20-decaene).

Molecular Properties

• Compound Name: 7,17-dibutyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;7,17-diethyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;bis(7,17-dimethyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene);7,17-dipentyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;7,17-dipropyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;tris(18-methyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(13),2(10),3,5(9),7,11,14,16,18,20-decaene)
• PubChem CID: 158283224
• Molecular Formula: C215H178O9
• Molecular Weight: 2905.78 g/mol
• Exact Mass: 2903.35
• IUPAC Name: 7,17-dibutyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;7,17-diethyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;bis(7,17-dimethyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene);7,17-dipentyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;7,17-dipropyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;tris(18-methyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(13),2(10),3,5(9),7,11,14,16,18,20-decaene)
• SMILES: CCCCCc1ccc2cc3c(ccc4c5cc(CCCCC)oc5ccc34)cc2c1.CCCCc1ccc2cc3c(ccc4c5cc(CCCC)oc5ccc34)cc2c1.CCCc1ccc2cc3c(ccc4c5cc(CCC)oc5ccc34)cc2c1.CCc1ccc2cc3c(ccc4c5cc(CC)oc5ccc34)cc2c1.Cc1ccc2cc3c(ccc4c5cc(C)oc5ccc34)cc2c1.Cc1ccc2cc3c(ccc4c5cc(C)oc5ccc34)cc2c1.Cc1ccc2cc3ccc4c5ccoc5ccc4c3cc2c1.Cc1ccc2cc3ccc4c5ccoc5ccc4c3cc2c1.Cc1ccc2cc3ccc4c5ccoc5ccc4c3cc2c1
• InChI: InChI=1S/C30H32O.C28H28O.C26H24O.C24H20O.2C22H16O.3C21H14O/c1-3-5-7-9-21-11-12-22-19-28-23(18-24(22)17-21)13-14-27-26(28)15-16-30-29(27)20-25(31-30)10-8-6-4-2;1-3-5-7-19-9-10-20-17-26-21(16-22(20)15-19)11-12-25-24(26)13-14-28-27(25)18-23(29-28)8-6-4-2;1-3-5-17-7-8-18-15-24-19(14-20(18)13-17)9-10-23-22(24)11-12-26-25(23)16-21(27-26)6-4-2;1-3-15-5-6-16-13-22-17(12-18(16)11-15)7-8-21-20(22)9-10-24-23(21)14-19(4-2)25-24;2*1-13-3-4-15-12-20-16(11-17(15)9-13)5-6-19-18(20)7-8-22-21(19)10-14(2)23-22;3*1-13-2-3-14-11-15-4-5-17-18(20(15)12-16(14)10-13)6-7-21-19(17)8-9-22-21/h11-20H,3-10H2,1-2H3;9-18H,3-8H2,1-2H3;7-16H,3-6H2,1-2H3;5-14H,3-4H2,1-2H3;2*3-12H,1-2H3;3*2-12H,1H3
• InChIKey: GKLNWVYSNNUVSO-UHFFFAOYSA-N
• XLogP: 64.37
• TPSA: 118.26 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 20
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2905.78
LogP ≤ 5	64.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7,17-dibutyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;7,17-diethyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;bis(7,17-dimethyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene);7,17-dipentyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;7,17-dipropyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;tris(18-methyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(13),2(10),3,5(9),7,11,14,16,18,20-decaene)?

The IUPAC name of 7,17-dibutyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;7,17-diethyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;bis(7,17-dimethyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene);7,17-dipentyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;7,17-dipropyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;tris(18-methyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(13),2(10),3,5(9),7,11,14,16,18,20-decaene) (CID 158283224) is 7,17-dibutyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;7,17-diethyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;bis(7,17-dimethyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene);7,17-dipentyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;7,17-dipropyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;tris(18-methyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(13),2(10),3,5(9),7,11,14,16,18,20-decaene).

What is the SMILES notation for 7,17-dibutyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;7,17-diethyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;bis(7,17-dimethyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene);7,17-dipentyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;7,17-dipropyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;tris(18-methyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(13),2(10),3,5(9),7,11,14,16,18,20-decaene)?

The canonical SMILES for 7,17-dibutyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;7,17-diethyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;bis(7,17-dimethyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene);7,17-dipentyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;7,17-dipropyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;tris(18-methyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(13),2(10),3,5(9),7,11,14,16,18,20-decaene) is CCCCCc1ccc2cc3c(ccc4c5cc(CCCCC)oc5ccc34)cc2c1.CCCCc1ccc2cc3c(ccc4c5cc(CCCC)oc5ccc34)cc2c1.CCCc1ccc2cc3c(ccc4c5cc(CCC)oc5ccc34)cc2c1.CCc1ccc2cc3c(ccc4c5cc(CC)oc5ccc34)cc2c1.Cc1ccc2cc3c(ccc4c5cc(C)oc5ccc34)cc2c1.Cc1ccc2cc3c(ccc4c5cc(C)oc5ccc34)cc2c1.Cc1ccc2cc3ccc4c5ccoc5ccc4c3cc2c1.Cc1ccc2cc3ccc4c5ccoc5ccc4c3cc2c1.Cc1ccc2cc3ccc4c5ccoc5ccc4c3cc2c1.

What is the InChIKey of 7,17-dibutyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;7,17-diethyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;bis(7,17-dimethyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene);7,17-dipentyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;7,17-dipropyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;tris(18-methyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(13),2(10),3,5(9),7,11,14,16,18,20-decaene)?

The InChIKey is GKLNWVYSNNUVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32O.C28H28O.C26H24O.C24H20O.2C22H16O.3C21H14O/c1-3-5-7-9-21-11-12-22-19-28-23(18-24(22)17-21)13-14-27-26(28)15-16-30-29(27)20-25(31-30)10-8-6-4-2;1-3-5-7-19-9-10-20-17-26-21(16-22(20)15-19)11-12-25-24(26)13-14-28-27(25)18-23(29-28)8-6-4-2;1-3-5-17-7-8-18-15-24-19(14-20(18)13-17)9-10-23-22(24)11-12-26-25(23)16-21(27-26)6-4-2;1-3-15-5-6-16-13-22-17(12-18(16)11-15)7-8-21-20(22)9-10-24-23(21)14-19(4-2)25-24;2*1-13-3-4-15-12-20-16(11-17(15)9-13)5-6-19-18(20)7-8-22-21(19)10-14(2)23-22;3*1-13-2-3-14-11-15-4-5-17-18(20(15)12-16(14)10-13)6-7-21-19(17)8-9-22-21/h11-20H,3-10H2,1-2H3;9-18H,3-8H2,1-2H3;7-16H,3-6H2,1-2H3;5-14H,3-4H2,1-2H3;2*3-12H,1-2H3;3*2-12H,1H3.

What are the key properties of 7,17-dibutyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;7,17-diethyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;bis(7,17-dimethyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene);7,17-dipentyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;7,17-dipropyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;tris(18-methyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(13),2(10),3,5(9),7,11,14,16,18,20-decaene)?

7,17-dibutyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;7,17-diethyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;bis(7,17-dimethyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene);7,17-dipentyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;7,17-dipropyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;tris(18-methyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(13),2(10),3,5(9),7,11,14,16,18,20-decaene) has a molecular weight of 2905.78 g/mol, XLogP of 64.37, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7,17-dibutyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;7,17-diethyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;bis(7,17-dimethyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene);7,17-dipentyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;7,17-dipropyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene;tris(18-methyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(13),2(10),3,5(9),7,11,14,16,18,20-decaene) is sourced from PubChem (CID 158283224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).