2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);1-but-3-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;cyclopentane;hexakis(dichlorozirconium(2+));2-hexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene);6-[(2-methylpropan-2-yl)oxy]hexylcyclopentane;5-[(2-methylpropan-2-yl)oxy]pentylcyclopentane;2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C170H302Cl12O2Zr6 — CID 162277245

About 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);1-but-3-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;cyclopentane;hexakis(dichlorozirconium(2+));2-hexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene);6-[(2-methylpropan-2-yl)oxy]hexylcyclopentane;5-[(2-methylpropan-2-yl)oxy]pentylcyclopentane;2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);1-but-3-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;cyclopentane;hexakis(dichlorozirconium(2+));2-hexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene);6-[(2-methylpropan-2-yl)oxy]hexylcyclopentane;5-[(2-methylpropan-2-yl)oxy]pentylcyclopentane;2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 162277245) has the molecular formula C170H302Cl12O2Zr6 and a molecular weight of 3351.06 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);1-but-3-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;cyclopentane;hexakis(dichlorozirconium(2+));2-hexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene);6-[(2-methylpropan-2-yl)oxy]hexylcyclopentane;5-[(2-methylpropan-2-yl)oxy]pentylcyclopentane;2-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;bis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);1-but-3-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;cyclopentane;hexakis(dichlorozirconium(2+));2-hexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene);6-[(2-methylpropan-2-yl)oxy]hexylcyclopentane;5-[(2-methylpropan-2-yl)oxy]pentylcyclopentane;2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
• PubChem CID: 162277245
• Molecular Formula: C170H302Cl12O2Zr6
• Molecular Weight: 3351.06 g/mol
• Exact Mass: 3335.41
• IUPAC Name: 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);1-but-3-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;cyclopentane;hexakis(dichlorozirconium(2+));2-hexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene);6-[(2-methylpropan-2-yl)oxy]hexylcyclopentane;5-[(2-methylpropan-2-yl)oxy]pentylcyclopentane;2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
• SMILES: C1CCC2C(C1)CC1CCCCC12.C1CCC2C(C1)CC1CCCCC12.C1CCC2CCCC2C1.C1CCCC1.C=CCCC1CCC2CCCCC12.CC(C)(C)OCCCCCC1CCCC1.CC(C)(C)OCCCCCCC1CCCC1.CC1CC2CCCC(c3ccccc3)C2C1.CC1CC2CCCC(c3ccccc3)C2C1.CC1CC2CCCCC2C1.CCCCCCC1CCC2C(C1)CC1CCCCC12.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(C2CC3CCCCC3C2)cc1
• InChI: InChI=1S/C19H34.2C16H22.C15H30O.C15H20.C14H28O.3C13H22.C10H18.C9H16.C5H10.12CH3.12ClH.6Zr/c1-2-3-4-5-8-15-11-12-19-17(13-15)14-16-9-6-7-10-18(16)19;2*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;1-15(2,3)16-13-9-5-4-6-10-14-11-7-8-12-14;1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-15;1-14(2,3)15-12-8-4-5-9-13-10-6-7-11-13;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-3-6-11-9-10-12-7-4-5-8-13(11)12;1-8-6-9-4-2-3-5-10(9)7-8;1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h15-19H,2-14H2,1H3;2*2-4,6-7,12,14-16H,5,8-11H2,1H3;14H,4-13H2,1-3H3;1-3,6-7,13-15H,4-5,8-11H2;13H,4-12H2,1-3H3;2*10-13H,1-9H2;2,11-13H,1,3-10H2;8-10H,2-7H2,1H3;8-9H,1-7H2;1-5H2;12*1H3;12*1H;;;;;;/q;;;;;;;;;;;;12*-1;;;;;;;;;;;;;6*+4/p-12
• InChIKey: CAJFMKMHXUPJLM-UHFFFAOYSA-B
• XLogP: 63.28
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 24
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3351.06
LogP ≤ 5	63.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);1-but-3-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;cyclopentane;hexakis(dichlorozirconium(2+));2-hexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene);6-[(2-methylpropan-2-yl)oxy]hexylcyclopentane;5-[(2-methylpropan-2-yl)oxy]pentylcyclopentane;2-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;bis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);1-but-3-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;cyclopentane;hexakis(dichlorozirconium(2+));2-hexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene);6-[(2-methylpropan-2-yl)oxy]hexylcyclopentane;5-[(2-methylpropan-2-yl)oxy]pentylcyclopentane;2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 162277245) is 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);1-but-3-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;cyclopentane;hexakis(dichlorozirconium(2+));2-hexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene);6-[(2-methylpropan-2-yl)oxy]hexylcyclopentane;5-[(2-methylpropan-2-yl)oxy]pentylcyclopentane;2-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;bis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);1-but-3-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;cyclopentane;hexakis(dichlorozirconium(2+));2-hexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene);6-[(2-methylpropan-2-yl)oxy]hexylcyclopentane;5-[(2-methylpropan-2-yl)oxy]pentylcyclopentane;2-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;bis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);1-but-3-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;cyclopentane;hexakis(dichlorozirconium(2+));2-hexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene);6-[(2-methylpropan-2-yl)oxy]hexylcyclopentane;5-[(2-methylpropan-2-yl)oxy]pentylcyclopentane;2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is C1CCC2C(C1)CC1CCCCC12.C1CCC2C(C1)CC1CCCCC12.C1CCC2CCCC2C1.C1CCCC1.C=CCCC1CCC2CCCCC12.CC(C)(C)OCCCCCC1CCCC1.CC(C)(C)OCCCCCCC1CCCC1.CC1CC2CCCC(c3ccccc3)C2C1.CC1CC2CCCC(c3ccccc3)C2C1.CC1CC2CCCCC2C1.CCCCCCC1CCC2C(C1)CC1CCCCC12.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(C2CC3CCCCC3C2)cc1.

What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);1-but-3-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;cyclopentane;hexakis(dichlorozirconium(2+));2-hexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene);6-[(2-methylpropan-2-yl)oxy]hexylcyclopentane;5-[(2-methylpropan-2-yl)oxy]pentylcyclopentane;2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?

The InChIKey is CAJFMKMHXUPJLM-UHFFFAOYSA-B. The full InChI is InChI=1S/C19H34.2C16H22.C15H30O.C15H20.C14H28O.3C13H22.C10H18.C9H16.C5H10.12CH3.12ClH.6Zr/c1-2-3-4-5-8-15-11-12-19-17(13-15)14-16-9-6-7-10-18(16)19;2*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;1-15(2,3)16-13-9-5-4-6-10-14-11-7-8-12-14;1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-15;1-14(2,3)15-12-8-4-5-9-13-10-6-7-11-13;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-3-6-11-9-10-12-7-4-5-8-13(11)12;1-8-6-9-4-2-3-5-10(9)7-8;1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h15-19H,2-14H2,1H3;2*2-4,6-7,12,14-16H,5,8-11H2,1H3;14H,4-13H2,1-3H3;1-3,6-7,13-15H,4-5,8-11H2;13H,4-12H2,1-3H3;2*10-13H,1-9H2;2,11-13H,1,3-10H2;8-10H,2-7H2,1H3;8-9H,1-7H2;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;bis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);1-but-3-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;cyclopentane;hexakis(dichlorozirconium(2+));2-hexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene);6-[(2-methylpropan-2-yl)oxy]hexylcyclopentane;5-[(2-methylpropan-2-yl)oxy]pentylcyclopentane;2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?

2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);1-but-3-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;cyclopentane;hexakis(dichlorozirconium(2+));2-hexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene);6-[(2-methylpropan-2-yl)oxy]hexylcyclopentane;5-[(2-methylpropan-2-yl)oxy]pentylcyclopentane;2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 3351.06 g/mol, XLogP of 63.28, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);1-but-3-enyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;cyclopentane;hexakis(dichlorozirconium(2+));2-hexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene);6-[(2-methylpropan-2-yl)oxy]hexylcyclopentane;5-[(2-methylpropan-2-yl)oxy]pentylcyclopentane;2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 162277245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).