1-[3-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-2,3-dimethylbutan-2-yl]-2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C36H66 — CID 100992125

About 1-[3-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-2,3-dimethylbutan-2-yl]-2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

1-[3-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-2,3-dimethylbutan-2-yl]-2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 100992125) has the molecular formula C36H66 and a molecular weight of 498.92 g/mol. Its IUPAC name is 1-[3-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-2,3-dimethylbutan-2-yl]-2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

• Compound Name: 1-[3-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-2,3-dimethylbutan-2-yl]-2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
• PubChem CID: 100992125
• Molecular Formula: C36H66
• Molecular Weight: 498.92 g/mol
• Exact Mass: 498.52
• IUPAC Name: 1-[3-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-2,3-dimethylbutan-2-yl]-2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
• SMILES: CC1C(C)C(C)C2C(C1C)C(C)C(C)C2C(C)(C)C(C)(C)C1C(C)C(C)C2C(C)C(C)C(C)C(C)C21
• InChI: InChI=1S/C36H66/c1-17-19(3)23(7)31-29(21(17)5)25(9)27(11)33(31)35(13,14)36(15,16)34-28(12)26(10)30-22(6)18(2)20(4)24(8)32(30)34/h17-34H,1-16H3
• InChIKey: WCKMHFIPTVSEJB-UHFFFAOYSA-N
• XLogP: 10.42
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.92
LogP ≤ 5	10.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-2,3-dimethylbutan-2-yl]-2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?

The IUPAC name of 1-[3-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-2,3-dimethylbutan-2-yl]-2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 100992125) is 1-[3-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-2,3-dimethylbutan-2-yl]-2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

What is the SMILES notation for 1-[3-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-2,3-dimethylbutan-2-yl]-2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?

The canonical SMILES for 1-[3-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-2,3-dimethylbutan-2-yl]-2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is CC1C(C)C(C)C2C(C1C)C(C)C(C)C2C(C)(C)C(C)(C)C1C(C)C(C)C2C(C)C(C)C(C)C(C)C21.

What is the InChIKey of 1-[3-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-2,3-dimethylbutan-2-yl]-2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?

The InChIKey is WCKMHFIPTVSEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H66/c1-17-19(3)23(7)31-29(21(17)5)25(9)27(11)33(31)35(13,14)36(15,16)34-28(12)26(10)30-22(6)18(2)20(4)24(8)32(30)34/h17-34H,1-16H3.

What are the key properties of 1-[3-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-2,3-dimethylbutan-2-yl]-2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?

1-[3-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-2,3-dimethylbutan-2-yl]-2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 498.92 g/mol, XLogP of 10.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-2,3-dimethylbutan-2-yl]-2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 100992125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).