15,15-dimethylhexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;25,25-dimethylhexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethylhexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;ethane

C186H192 — CID 160969814

About 15,15-dimethylhexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;25,25-dimethylhexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethylhexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;ethane

15,15-dimethylhexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;25,25-dimethylhexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethylhexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;ethane (PubChem CID 160969814) has the molecular formula C186H192 and a molecular weight of 2427.58 g/mol. Its IUPAC name is 15,15-dimethylhexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;25,25-dimethylhexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethylhexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;ethane.

Molecular Properties

• Compound Name: 15,15-dimethylhexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;25,25-dimethylhexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethylhexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;ethane
• PubChem CID: 160969814
• Molecular Formula: C186H192
• Molecular Weight: 2427.58 g/mol
• Exact Mass: 2425.50
• IUPAC Name: 15,15-dimethylhexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;25,25-dimethylhexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethylhexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;ethane
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2cc3cc4ccccc4cc3cc2-c2c1ccc1ccccc21.CC1(C)c2cc3ccc4ccccc4c3cc2-c2c1ccc1ccccc21.CC1(C)c2ccc3ccccc3c2-c2c1ccc1c2ccc2ccccc21.CC1(C)c2ccc3ccccc3c2-c2c1ccc1cc3ccccc3cc21.CC1(C)c2ccc3ccccc3c2-c2c1ccc1ccc3ccccc3c21.CC1(C)c2ccc3ccccc3c2-c2ccc3cc4ccccc4cc3c21
• InChI: InChI=1S/6C27H20.12C2H6/c1-27(2)23-15-12-18-8-4-6-10-20(18)25(23)26-22-13-11-17-7-3-5-9-19(17)21(22)14-16-24(26)27;1-27(2)22-15-13-18-8-4-6-10-21(18)25(22)26-23(27)16-14-19-12-11-17-7-3-5-9-20(17)24(19)26;1-27(2)24-14-13-18-8-4-6-10-21(18)26(24)23-16-22-19(15-25(23)27)12-11-17-7-3-5-9-20(17)22;1-27(2)24-14-12-17-7-5-6-10-21(17)25(24)22-13-11-20-15-18-8-3-4-9-19(18)16-23(20)26(22)27;1-27(2)23-13-11-17-7-5-6-10-21(17)25(23)26-22-16-19-9-4-3-8-18(19)15-20(22)12-14-24(26)27;1-27(2)24-12-11-17-7-5-6-10-22(17)26(24)23-15-20-13-18-8-3-4-9-19(18)14-21(20)16-25(23)27;12*1-2/h6*3-16H,1-2H3;12*1-2H3
• InChIKey: SYCKEOAYVLMQOI-UHFFFAOYSA-N
• XLogP: 57.03
• TPSA: 0.00 Ų
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2427.58
LogP ≤ 5	57.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'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 15,15-dimethylhexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;25,25-dimethylhexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethylhexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;ethane?

The IUPAC name of 15,15-dimethylhexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;25,25-dimethylhexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethylhexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;ethane (CID 160969814) is 15,15-dimethylhexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;25,25-dimethylhexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethylhexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;ethane.

What is the SMILES notation for 15,15-dimethylhexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;25,25-dimethylhexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethylhexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;ethane?

The canonical SMILES for 15,15-dimethylhexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;25,25-dimethylhexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethylhexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)c2cc3cc4ccccc4cc3cc2-c2c1ccc1ccccc21.CC1(C)c2cc3ccc4ccccc4c3cc2-c2c1ccc1ccccc21.CC1(C)c2ccc3ccccc3c2-c2c1ccc1c2ccc2ccccc21.CC1(C)c2ccc3ccccc3c2-c2c1ccc1cc3ccccc3cc21.CC1(C)c2ccc3ccccc3c2-c2c1ccc1ccc3ccccc3c21.CC1(C)c2ccc3ccccc3c2-c2ccc3cc4ccccc4cc3c21.

What is the InChIKey of 15,15-dimethylhexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;25,25-dimethylhexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethylhexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;ethane?

The InChIKey is SYCKEOAYVLMQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/6C27H20.12C2H6/c1-27(2)23-15-12-18-8-4-6-10-20(18)25(23)26-22-13-11-17-7-3-5-9-19(17)21(22)14-16-24(26)27;1-27(2)22-15-13-18-8-4-6-10-21(18)25(22)26-23(27)16-14-19-12-11-17-7-3-5-9-20(17)24(19)26;1-27(2)24-14-13-18-8-4-6-10-21(18)26(24)23-16-22-19(15-25(23)27)12-11-17-7-3-5-9-20(17)22;1-27(2)24-14-12-17-7-5-6-10-21(17)25(24)22-13-11-20-15-18-8-3-4-9-19(18)16-23(20)26(22)27;1-27(2)23-13-11-17-7-5-6-10-21(17)25(23)26-22-16-19-9-4-3-8-18(19)15-20(22)12-14-24(26)27;1-27(2)24-12-11-17-7-5-6-10-22(17)26(24)23-15-20-13-18-8-3-4-9-19(18)14-21(20)16-25(23)27;12*1-2/h6*3-16H,1-2H3;12*1-2H3.

What are the key properties of 15,15-dimethylhexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;25,25-dimethylhexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethylhexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;ethane?

15,15-dimethylhexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;25,25-dimethylhexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethylhexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;ethane has a molecular weight of 2427.58 g/mol, XLogP of 57.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 15,15-dimethylhexacyclo[12.11.0.02,11.03,8.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaene;15,15-dimethylhexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;25,25-dimethylhexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-dimethylhexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaene;ethane is sourced from PubChem (CID 160969814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).