2-ethyl-1-(5-ethyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclopentane

C30H54 — CID 161039599

About 2-ethyl-1-(5-ethyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclopentane

2-ethyl-1-(5-ethyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclopentane (PubChem CID 161039599) has the molecular formula C30H54 and a molecular weight of 414.76 g/mol. Its IUPAC name is 2-ethyl-1-(5-ethyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclopentane.

Molecular Properties

• Compound Name: 2-ethyl-1-(5-ethyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclopentane
• PubChem CID: 161039599
• Molecular Formula: C30H54
• Molecular Weight: 414.76 g/mol
• Exact Mass: 414.42
• IUPAC Name: 2-ethyl-1-(5-ethyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclopentane
• SMILES: CC1CCCC1.CCC1CCC2CCCCC2C1C1C(CC)C(C)CC2CCCC21
• InChI: InChI=1S/C24H42.C6H12/c1-4-17-13-14-18-9-6-7-11-21(18)23(17)24-20(5-2)16(3)15-19-10-8-12-22(19)24;1-6-4-2-3-5-6/h16-24H,4-15H2,1-3H3;6H,2-5H2,1H3
• InChIKey: UASCWCMPJIBCEH-UHFFFAOYSA-N
• XLogP: 9.52
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.76
LogP ≤ 5	9.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(5-ethyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclopentane?

The IUPAC name of 2-ethyl-1-(5-ethyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclopentane (CID 161039599) is 2-ethyl-1-(5-ethyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclopentane.

What is the SMILES notation for 2-ethyl-1-(5-ethyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclopentane?

The canonical SMILES for 2-ethyl-1-(5-ethyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclopentane is CC1CCCC1.CCC1CCC2CCCCC2C1C1C(CC)C(C)CC2CCCC21.

What is the InChIKey of 2-ethyl-1-(5-ethyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclopentane?

The InChIKey is UASCWCMPJIBCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42.C6H12/c1-4-17-13-14-18-9-6-7-11-21(18)23(17)24-20(5-2)16(3)15-19-10-8-12-22(19)24;1-6-4-2-3-5-6/h16-24H,4-15H2,1-3H3;6H,2-5H2,1H3.

What are the key properties of 2-ethyl-1-(5-ethyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclopentane?

2-ethyl-1-(5-ethyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclopentane has a molecular weight of 414.76 g/mol, XLogP of 9.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-1-(5-ethyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclopentane is sourced from PubChem (CID 161039599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).