1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[(1S)-1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;9-[(3-but-3-enylcyclopentyl)-diphenylmethyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+))

C160H234Cl10SiTiZr4-2 — CID 162275987

About 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[(1S)-1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;9-[(3-but-3-enylcyclopentyl)-diphenylmethyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+))

1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[(1S)-1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;9-[(3-but-3-enylcyclopentyl)-diphenylmethyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+)) (PubChem CID 162275987) has the molecular formula C160H234Cl10SiTiZr4-2 and a molecular weight of 2953.01 g/mol. Its IUPAC name is 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[(1S)-1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;9-[(3-but-3-enylcyclopentyl)-diphenylmethyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+)).

Molecular Properties

• Compound Name: 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[(1S)-1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;9-[(3-but-3-enylcyclopentyl)-diphenylmethyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+))
• PubChem CID: 162275987
• Molecular Formula: C160H234Cl10SiTiZr4-2
• Molecular Weight: 2953.01 g/mol
• Exact Mass: 2941.06
• IUPAC Name: 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[(1S)-1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;9-[(3-but-3-enylcyclopentyl)-diphenylmethyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+))
• SMILES: C=C(C)CCC1CC(CCC2CCC3C=CC=CC32)C2C=CC=CC12.C=CCC1CC(CCC2CCC3C=CC=CC32)C2C=CC=CC12.C=CCCC1CC(CCC2CCC3C=CC=CC32)C2C=CC=CC12.C=CCCC1CCC(C(c2ccccc2)(c2ccccc2)C2C3C=C(C(C)(C)C)C=CC3C3C=CC(C(C)(C)C)=CC32)C1.C=CC[Si](C)(C)C1CC([C@](C)(c2ccccc2)C2C3CCCCC3C3CCCCC32)C2CCCCC21.Cl[Ti]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-]
• InChI: InChI=1S/C43H54.C35H54Si.C25H34.C24H32.C23H30.10CH3.10ClH.Ti.4Zr/c1-8-9-16-30-21-22-35(27-30)43(31-17-12-10-13-18-31,32-19-14-11-15-20-32)40-38-28-33(41(2,3)4)23-25-36(38)37-26-24-34(29-39(37)40)42(5,6)7;1-5-23-36(3,4)33-24-32(28-19-11-12-20-29(28)33)35(2,25-15-7-6-8-16-25)34-30-21-13-9-17-26(30)27-18-10-14-22-31(27)34;1-18(2)11-12-21-17-22(25-10-6-5-9-24(21)25)16-15-20-14-13-19-7-3-4-8-23(19)20;1-2-3-8-20-17-21(24-12-7-6-11-23(20)24)16-15-19-14-13-18-9-4-5-10-22(18)19;1-2-7-19-16-20(23-11-6-5-10-22(19)23)15-14-18-13-12-17-8-3-4-9-21(17)18;;;;;;;;;;;;;;;;;;;;;;;;;/h8,10-15,17-20,23-26,28-30,35-40H,1,9,16,21-22,27H2,2-7H3;5-8,15-16,26-34H,1,9-14,17-24H2,2-4H3;3-10,19-25H,1,11-17H2,2H3;2,4-7,9-12,18-24H,1,3,8,13-17H2;2-6,8-11,17-23H,1,7,12-16H2;10*1H3;10*1H;;;;;/q;;;;;10*-1;;;;;;;;;;;+2;4*+4/p-10/t;26?,27?,28?,29?,30?,31?,32?,33?,34?,35-;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m.0............................/s1
• InChIKey: KEKGTISGFIBNJZ-LMMUSLLESA-D
• XLogP: 52.68
• TPSA: 0.00 Ų
• Rotatable Bonds: 30
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2953.01
LogP ≤ 5	52.68
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[(1S)-1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;9-[(3-but-3-enylcyclopentyl)-diphenylmethyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+))?

The IUPAC name of 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[(1S)-1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;9-[(3-but-3-enylcyclopentyl)-diphenylmethyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+)) (CID 162275987) is 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[(1S)-1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;9-[(3-but-3-enylcyclopentyl)-diphenylmethyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+)).

What is the SMILES notation for 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[(1S)-1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;9-[(3-but-3-enylcyclopentyl)-diphenylmethyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+))?

The canonical SMILES for 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[(1S)-1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;9-[(3-but-3-enylcyclopentyl)-diphenylmethyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+)) is C=C(C)CCC1CC(CCC2CCC3C=CC=CC32)C2C=CC=CC12.C=CCC1CC(CCC2CCC3C=CC=CC32)C2C=CC=CC12.C=CCCC1CC(CCC2CCC3C=CC=CC32)C2C=CC=CC12.C=CCCC1CCC(C(c2ccccc2)(c2ccccc2)C2C3C=C(C(C)(C)C)C=CC3C3C=CC(C(C)(C)C)=CC32)C1.C=CC[Si](C)(C)C1CC([C@](C)(c2ccccc2)C2C3CCCCC3C3CCCCC32)C2CCCCC21.Cl[Ti]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-].

What is the InChIKey of 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[(1S)-1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;9-[(3-but-3-enylcyclopentyl)-diphenylmethyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+))?

The InChIKey is KEKGTISGFIBNJZ-LMMUSLLESA-D. The full InChI is InChI=1S/C43H54.C35H54Si.C25H34.C24H32.C23H30.10CH3.10ClH.Ti.4Zr/c1-8-9-16-30-21-22-35(27-30)43(31-17-12-10-13-18-31,32-19-14-11-15-20-32)40-38-28-33(41(2,3)4)23-25-36(38)37-26-24-34(29-39(37)40)42(5,6)7;1-5-23-36(3,4)33-24-32(28-19-11-12-20-29(28)33)35(2,25-15-7-6-8-16-25)34-30-21-13-9-17-26(30)27-18-10-14-22-31(27)34;1-18(2)11-12-21-17-22(25-10-6-5-9-24(21)25)16-15-20-14-13-19-7-3-4-8-23(19)20;1-2-3-8-20-17-21(24-12-7-6-11-23(20)24)16-15-19-14-13-18-9-4-5-10-22(18)19;1-2-7-19-16-20(23-11-6-5-10-22(19)23)15-14-18-13-12-17-8-3-4-9-21(17)18;;;;;;;;;;;;;;;;;;;;;;;;;/h8,10-15,17-20,23-26,28-30,35-40H,1,9,16,21-22,27H2,2-7H3;5-8,15-16,26-34H,1,9-14,17-24H2,2-4H3;3-10,19-25H,1,11-17H2,2H3;2,4-7,9-12,18-24H,1,3,8,13-17H2;2-6,8-11,17-23H,1,7,12-16H2;10*1H3;10*1H;;;;;/q;;;;;10*-1;;;;;;;;;;;+2;4*+4/p-10/t;26?,27?,28?,29?,30?,31?,32?,33?,34?,35-;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m.0............................/s1.

What are the key properties of 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[(1S)-1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;9-[(3-but-3-enylcyclopentyl)-diphenylmethyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+))?

1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[(1S)-1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;9-[(3-but-3-enylcyclopentyl)-diphenylmethyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+)) has a molecular weight of 2953.01 g/mol, XLogP of 52.68, 30 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,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[(1S)-1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;9-[(3-but-3-enylcyclopentyl)-diphenylmethyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+)) is sourced from PubChem (CID 162275987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).