1-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;benzene;bis(2-chloro-2-methylpropane);bis(cyclopentane);1-(2-cyclopentylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2,2-dichloropropane;methane

C64H116Cl4 — CID 162271163

About 1-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;benzene;bis(2-chloro-2-methylpropane);bis(cyclopentane);1-(2-cyclopentylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2,2-dichloropropane;methane

1-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;benzene;bis(2-chloro-2-methylpropane);bis(cyclopentane);1-(2-cyclopentylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2,2-dichloropropane;methane (PubChem CID 162271163) has the molecular formula C64H116Cl4 and a molecular weight of 1027.44 g/mol. Its IUPAC name is 1-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;benzene;bis(2-chloro-2-methylpropane);bis(cyclopentane);1-(2-cyclopentylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2,2-dichloropropane;methane.

Molecular Properties

• Compound Name: 1-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;benzene;bis(2-chloro-2-methylpropane);bis(cyclopentane);1-(2-cyclopentylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2,2-dichloropropane;methane
• PubChem CID: 162271163
• Molecular Formula: C64H116Cl4
• Molecular Weight: 1027.44 g/mol
• Exact Mass: 1024.78
• IUPAC Name: 1-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;benzene;bis(2-chloro-2-methylpropane);bis(cyclopentane);1-(2-cyclopentylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2,2-dichloropropane;methane
• SMILES: C.C1CCC(CCC2CCC3CCCCC32)C1.C1CCC2C(C1)CCC2CCC1CCC2CCCCC21.C1CCCC1.C1CCCC1.CC(C)(C)Cl.CC(C)(C)Cl.CC(C)(Cl)Cl.c1ccccc1
• InChI: InChI=1S/C20H34.C16H28.C6H6.2C5H10.2C4H9Cl.C3H6Cl2.CH4/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18;1-2-6-13(5-1)9-10-15-12-11-14-7-3-4-8-16(14)15;1-2-4-6-5-3-1;2*1-2-4-5-3-1;2*1-4(2,3)5;1-3(2,4)5;/h15-20H,1-14H2;13-16H,1-12H2;1-6H;2*1-5H2;2*1-3H3;1-2H3;1H4
• InChIKey: NTYMWWBSLRFEGS-UHFFFAOYSA-N
• XLogP: 23.84
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1027.44
LogP ≤ 5	23.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;benzene;bis(2-chloro-2-methylpropane);bis(cyclopentane);1-(2-cyclopentylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2,2-dichloropropane;methane?

The IUPAC name of 1-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;benzene;bis(2-chloro-2-methylpropane);bis(cyclopentane);1-(2-cyclopentylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2,2-dichloropropane;methane (CID 162271163) is 1-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;benzene;bis(2-chloro-2-methylpropane);bis(cyclopentane);1-(2-cyclopentylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2,2-dichloropropane;methane.

What is the SMILES notation for 1-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;benzene;bis(2-chloro-2-methylpropane);bis(cyclopentane);1-(2-cyclopentylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2,2-dichloropropane;methane?

The canonical SMILES for 1-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;benzene;bis(2-chloro-2-methylpropane);bis(cyclopentane);1-(2-cyclopentylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2,2-dichloropropane;methane is C.C1CCC(CCC2CCC3CCCCC32)C1.C1CCC2C(C1)CCC2CCC1CCC2CCCCC21.C1CCCC1.C1CCCC1.CC(C)(C)Cl.CC(C)(C)Cl.CC(C)(Cl)Cl.c1ccccc1.

What is the InChIKey of 1-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;benzene;bis(2-chloro-2-methylpropane);bis(cyclopentane);1-(2-cyclopentylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2,2-dichloropropane;methane?

The InChIKey is NTYMWWBSLRFEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34.C16H28.C6H6.2C5H10.2C4H9Cl.C3H6Cl2.CH4/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18;1-2-6-13(5-1)9-10-15-12-11-14-7-3-4-8-16(14)15;1-2-4-6-5-3-1;2*1-2-4-5-3-1;2*1-4(2,3)5;1-3(2,4)5;/h15-20H,1-14H2;13-16H,1-12H2;1-6H;2*1-5H2;2*1-3H3;1-2H3;1H4.

What are the key properties of 1-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;benzene;bis(2-chloro-2-methylpropane);bis(cyclopentane);1-(2-cyclopentylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2,2-dichloropropane;methane?

1-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;benzene;bis(2-chloro-2-methylpropane);bis(cyclopentane);1-(2-cyclopentylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2,2-dichloropropane;methane has a molecular weight of 1027.44 g/mol, XLogP of 23.84, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;benzene;bis(2-chloro-2-methylpropane);bis(cyclopentane);1-(2-cyclopentylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2,2-dichloropropane;methane is sourced from PubChem (CID 162271163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).