tris(2,3,3a,7a-tetrahydro-1H-indene);1-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;bis(but-3-enylcyclopentane);bis(butylcyclopentane);1-butyl-3-methylcyclopentane;carbanide;cyclopentane;hexakis(dichlorozirconium(2+));1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene;1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene

C132H224Cl12Zr6 — CID 162274181

About tris(2,3,3a,7a-tetrahydro-1H-indene);1-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;bis(but-3-enylcyclopentane);bis(butylcyclopentane);1-butyl-3-methylcyclopentane;carbanide;cyclopentane;hexakis(dichlorozirconium(2+));1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene;1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene

tris(2,3,3a,7a-tetrahydro-1H-indene);1-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;bis(but-3-enylcyclopentane);bis(butylcyclopentane);1-butyl-3-methylcyclopentane;carbanide;cyclopentane;hexakis(dichlorozirconium(2+));1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene;1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene (PubChem CID 162274181) has the molecular formula C132H224Cl12Zr6 and a molecular weight of 2784.02 g/mol. Its IUPAC name is tris(2,3,3a,7a-tetrahydro-1H-indene);1-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;bis(but-3-enylcyclopentane);bis(butylcyclopentane);1-butyl-3-methylcyclopentane;carbanide;cyclopentane;hexakis(dichlorozirconium(2+));1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene;1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene.

Molecular Properties

• Compound Name: tris(2,3,3a,7a-tetrahydro-1H-indene);1-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;bis(but-3-enylcyclopentane);bis(butylcyclopentane);1-butyl-3-methylcyclopentane;carbanide;cyclopentane;hexakis(dichlorozirconium(2+));1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene;1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene
• PubChem CID: 162274181
• Molecular Formula: C132H224Cl12Zr6
• Molecular Weight: 2784.02 g/mol
• Exact Mass: 2768.81
• IUPAC Name: tris(2,3,3a,7a-tetrahydro-1H-indene);1-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;bis(but-3-enylcyclopentane);bis(butylcyclopentane);1-butyl-3-methylcyclopentane;carbanide;cyclopentane;hexakis(dichlorozirconium(2+));1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene;1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene
• SMILES: C1=CC2CCC(CCc3ccccc3)C2C=C1.C1=CC2CCCC2C=C1.C1=CC2CCCC2C=C1.C1=CC2CCCC2C=C1.C1CCCC1.C=CCC1CCC2C=CC=CC21.C=CCCC1CCC2C=CC=CC21.C=CCCC1CCCC1.C=CCCC1CCCC1.CCCCC1CCC(C)C1.CCCCC1CCCC1.CCCCC1CCCC1.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-]
• InChI: InChI=1S/C17H20.C13H18.C12H16.C10H20.3C9H12.2C9H18.2C9H16.C5H10.12CH3.12ClH.6Zr/c1-2-6-14(7-3-1)10-11-16-13-12-15-8-4-5-9-17(15)16;1-2-3-6-11-9-10-12-7-4-5-8-13(11)12;1-2-5-10-8-9-11-6-3-4-7-12(10)11;1-3-4-5-10-7-6-9(2)8-10;3*1-2-5-9-7-3-6-8(9)4-1;4*1-2-3-6-9-7-4-5-8-9;1-2-4-5-3-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-9,15-17H,10-13H2;2,4-5,7-8,11-13H,1,3,6,9-10H2;2-4,6-7,10-12H,1,5,8-9H2;9-10H,3-8H2,1-2H3;3*1-2,4-5,8-9H,3,6-7H2;2*9H,2-8H2,1H3;2*2,9H,1,3-8H2;1-5H2;12*1H3;12*1H;;;;;;/q;;;;;;;;;;;;12*-1;;;;;;;;;;;;;6*+4/p-12
• InChIKey: MOWAUTAUCKJVHC-UHFFFAOYSA-B
• XLogP: 51.27
• TPSA: 0.00 Ų
• Rotatable Bonds: 23
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2784.02
LogP ≤ 5	51.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(2,3,3a,7a-tetrahydro-1H-indene);1-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;bis(but-3-enylcyclopentane);bis(butylcyclopentane);1-butyl-3-methylcyclopentane;carbanide;cyclopentane;hexakis(dichlorozirconium(2+));1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene;1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene?

The IUPAC name of tris(2,3,3a,7a-tetrahydro-1H-indene);1-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;bis(but-3-enylcyclopentane);bis(butylcyclopentane);1-butyl-3-methylcyclopentane;carbanide;cyclopentane;hexakis(dichlorozirconium(2+));1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene;1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene (CID 162274181) is tris(2,3,3a,7a-tetrahydro-1H-indene);1-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;bis(but-3-enylcyclopentane);bis(butylcyclopentane);1-butyl-3-methylcyclopentane;carbanide;cyclopentane;hexakis(dichlorozirconium(2+));1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene;1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene.

What is the SMILES notation for tris(2,3,3a,7a-tetrahydro-1H-indene);1-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;bis(but-3-enylcyclopentane);bis(butylcyclopentane);1-butyl-3-methylcyclopentane;carbanide;cyclopentane;hexakis(dichlorozirconium(2+));1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene;1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene?

The canonical SMILES for tris(2,3,3a,7a-tetrahydro-1H-indene);1-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;bis(but-3-enylcyclopentane);bis(butylcyclopentane);1-butyl-3-methylcyclopentane;carbanide;cyclopentane;hexakis(dichlorozirconium(2+));1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene;1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene is C1=CC2CCC(CCc3ccccc3)C2C=C1.C1=CC2CCCC2C=C1.C1=CC2CCCC2C=C1.C1=CC2CCCC2C=C1.C1CCCC1.C=CCC1CCC2C=CC=CC21.C=CCCC1CCC2C=CC=CC21.C=CCCC1CCCC1.C=CCCC1CCCC1.CCCCC1CCC(C)C1.CCCCC1CCCC1.CCCCC1CCCC1.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-].

What is the InChIKey of tris(2,3,3a,7a-tetrahydro-1H-indene);1-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;bis(but-3-enylcyclopentane);bis(butylcyclopentane);1-butyl-3-methylcyclopentane;carbanide;cyclopentane;hexakis(dichlorozirconium(2+));1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene;1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene?

The InChIKey is MOWAUTAUCKJVHC-UHFFFAOYSA-B. The full InChI is InChI=1S/C17H20.C13H18.C12H16.C10H20.3C9H12.2C9H18.2C9H16.C5H10.12CH3.12ClH.6Zr/c1-2-6-14(7-3-1)10-11-16-13-12-15-8-4-5-9-17(15)16;1-2-3-6-11-9-10-12-7-4-5-8-13(11)12;1-2-5-10-8-9-11-6-3-4-7-12(10)11;1-3-4-5-10-7-6-9(2)8-10;3*1-2-5-9-7-3-6-8(9)4-1;4*1-2-3-6-9-7-4-5-8-9;1-2-4-5-3-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-9,15-17H,10-13H2;2,4-5,7-8,11-13H,1,3,6,9-10H2;2-4,6-7,10-12H,1,5,8-9H2;9-10H,3-8H2,1-2H3;3*1-2,4-5,8-9H,3,6-7H2;2*9H,2-8H2,1H3;2*2,9H,1,3-8H2;1-5H2;12*1H3;12*1H;;;;;;/q;;;;;;;;;;;;12*-1;;;;;;;;;;;;;6*+4/p-12.

What are the key properties of tris(2,3,3a,7a-tetrahydro-1H-indene);1-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;bis(but-3-enylcyclopentane);bis(butylcyclopentane);1-butyl-3-methylcyclopentane;carbanide;cyclopentane;hexakis(dichlorozirconium(2+));1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene;1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene?

tris(2,3,3a,7a-tetrahydro-1H-indene);1-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;bis(but-3-enylcyclopentane);bis(butylcyclopentane);1-butyl-3-methylcyclopentane;carbanide;cyclopentane;hexakis(dichlorozirconium(2+));1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene;1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene has a molecular weight of 2784.02 g/mol, XLogP of 51.27, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for tris(2,3,3a,7a-tetrahydro-1H-indene);1-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;bis(but-3-enylcyclopentane);bis(butylcyclopentane);1-butyl-3-methylcyclopentane;carbanide;cyclopentane;hexakis(dichlorozirconium(2+));1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene;1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene is sourced from PubChem (CID 162274181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).