2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;bis(cyclopentane);hexakis(dichlorozirconium(2+));bis(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene);2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;tetrakis(1,2,3,4,5-pentamethylcyclopentane);1-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C129H250Cl12Zr6 — CID 162274841

About 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;bis(cyclopentane);hexakis(dichlorozirconium(2+));bis(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene);2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;tetrakis(1,2,3,4,5-pentamethylcyclopentane);1-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;bis(cyclopentane);hexakis(dichlorozirconium(2+));bis(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene);2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;tetrakis(1,2,3,4,5-pentamethylcyclopentane);1-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 162274841) has the molecular formula C129H250Cl12Zr6 and a molecular weight of 2774.20 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;bis(cyclopentane);hexakis(dichlorozirconium(2+));bis(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene);2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;tetrakis(1,2,3,4,5-pentamethylcyclopentane);1-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

• Compound Name: 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;bis(cyclopentane);hexakis(dichlorozirconium(2+));bis(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene);2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;tetrakis(1,2,3,4,5-pentamethylcyclopentane);1-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
• PubChem CID: 162274841
• Molecular Formula: C129H250Cl12Zr6
• Molecular Weight: 2774.20 g/mol
• Exact Mass: 2759.01
• IUPAC Name: 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;bis(cyclopentane);hexakis(dichlorozirconium(2+));bis(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene);2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;tetrakis(1,2,3,4,5-pentamethylcyclopentane);1-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
• SMILES: C1CCC2CCCC2C1.C1CCCC1.C1CCCC1.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.CC1CC2CCCCC2C1.CC1CCC2CCCCC12.CC1CCC2CCCCC12.CCCCC1CC2CCCCC2C1.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].c1ccc(C2CCC3CCCCC32)cc1
• InChI: InChI=1S/C15H20.C13H24.3C10H18.4C10H20.C9H16.2C5H10.12CH3.12ClH.6Zr/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;1-2-3-6-11-9-12-7-4-5-8-13(12)10-11;1-8-6-9-4-2-3-5-10(9)7-8;2*1-8-6-7-9-4-2-3-5-10(8)9;4*1-6-7(2)9(4)10(5)8(6)3;1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-5-3-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-3,6-7,13-15H,4-5,8-11H2;11-13H,2-10H2,1H3;3*8-10H,2-7H2,1H3;4*6-10H,1-5H3;8-9H,1-7H2;2*1-5H2;12*1H3;12*1H;;;;;;/q;;;;;;;;;;;;12*-1;;;;;;;;;;;;;6*+4/p-12
• InChIKey: JFUNIPLNRNYHNH-UHFFFAOYSA-B
• XLogP: 51.69
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2774.20
LogP ≤ 5	51.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;bis(cyclopentane);hexakis(dichlorozirconium(2+));bis(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene);2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;tetrakis(1,2,3,4,5-pentamethylcyclopentane);1-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?

The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;bis(cyclopentane);hexakis(dichlorozirconium(2+));bis(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene);2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;tetrakis(1,2,3,4,5-pentamethylcyclopentane);1-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 162274841) is 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;bis(cyclopentane);hexakis(dichlorozirconium(2+));bis(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene);2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;tetrakis(1,2,3,4,5-pentamethylcyclopentane);1-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;bis(cyclopentane);hexakis(dichlorozirconium(2+));bis(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene);2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;tetrakis(1,2,3,4,5-pentamethylcyclopentane);1-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?

The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;bis(cyclopentane);hexakis(dichlorozirconium(2+));bis(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene);2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;tetrakis(1,2,3,4,5-pentamethylcyclopentane);1-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is C1CCC2CCCC2C1.C1CCCC1.C1CCCC1.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.CC1CC2CCCCC2C1.CC1CCC2CCCCC12.CC1CCC2CCCCC12.CCCCC1CC2CCCCC2C1.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].c1ccc(C2CCC3CCCCC32)cc1.

What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;bis(cyclopentane);hexakis(dichlorozirconium(2+));bis(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene);2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;tetrakis(1,2,3,4,5-pentamethylcyclopentane);1-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?

The InChIKey is JFUNIPLNRNYHNH-UHFFFAOYSA-B. The full InChI is InChI=1S/C15H20.C13H24.3C10H18.4C10H20.C9H16.2C5H10.12CH3.12ClH.6Zr/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;1-2-3-6-11-9-12-7-4-5-8-13(12)10-11;1-8-6-9-4-2-3-5-10(9)7-8;2*1-8-6-7-9-4-2-3-5-10(8)9;4*1-6-7(2)9(4)10(5)8(6)3;1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-5-3-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-3,6-7,13-15H,4-5,8-11H2;11-13H,2-10H2,1H3;3*8-10H,2-7H2,1H3;4*6-10H,1-5H3;8-9H,1-7H2;2*1-5H2;12*1H3;12*1H;;;;;;/q;;;;;;;;;;;;12*-1;;;;;;;;;;;;;6*+4/p-12.

What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;bis(cyclopentane);hexakis(dichlorozirconium(2+));bis(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene);2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;tetrakis(1,2,3,4,5-pentamethylcyclopentane);1-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?

2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;bis(cyclopentane);hexakis(dichlorozirconium(2+));bis(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene);2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;tetrakis(1,2,3,4,5-pentamethylcyclopentane);1-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 2774.20 g/mol, XLogP of 51.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;bis(cyclopentane);hexakis(dichlorozirconium(2+));bis(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene);2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;tetrakis(1,2,3,4,5-pentamethylcyclopentane);1-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 162274841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).