9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;2,7-ditert-butyl-9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;hexakis(dichlorozirconium(2+));9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene

C186H284Cl12Zr6 — CID 162277076

About 9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;2,7-ditert-butyl-9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;hexakis(dichlorozirconium(2+));9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene

9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;2,7-ditert-butyl-9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;hexakis(dichlorozirconium(2+));9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene (PubChem CID 162277076) has the molecular formula C186H284Cl12Zr6 and a molecular weight of 3493.10 g/mol. Its IUPAC name is 9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;2,7-ditert-butyl-9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;hexakis(dichlorozirconium(2+));9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene.

Molecular Properties

• Compound Name: 9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;2,7-ditert-butyl-9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;hexakis(dichlorozirconium(2+));9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
• PubChem CID: 162277076
• Molecular Formula: C186H284Cl12Zr6
• Molecular Weight: 3493.10 g/mol
• Exact Mass: 3477.28
• IUPAC Name: 9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;2,7-ditert-butyl-9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;hexakis(dichlorozirconium(2+));9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
• SMILES: C=CCCC1CCC(C(C)(C)C2C3C=C(C)C=CC3C3C=CC(C(C)(C)C)=CC32)C1.C=CCCC1CCC(C(C)(C)C2C3C=CC=CC3C3C=CC=CC32)C1.C=CCCC1CCC(C2(C3C4C=C(C)C=CC4C4C=CC(C(C)(C)C)=CC43)CCCC2)C1.C=CCCC1CCC(C2(C3C4C=CC=CC4C4C=CC=CC43)CCCC2)C1.C=CCCCC1CCC(C(C)(C)C2C3C=C(C(C)(C)C)C=CC3C3C=CC(C(C)(C)C)=CC32)C1.C=CCCCC1CCC(C(C)(C)C2C3C=CC=CC3C3C=CC=CC32)C1.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/C34H52.C32H46.C30H44.C27H36.C26H36.C25H34.12CH3.12ClH.6Zr/c1-10-11-12-13-23-14-15-26(20-23)34(8,9)31-29-21-24(32(2,3)4)16-18-27(29)28-19-17-25(22-30(28)31)33(5,6)7;1-6-7-10-23-12-13-25(20-23)32(17-8-9-18-32)30-28-19-22(2)11-15-26(28)27-16-14-24(21-29(27)30)31(3,4)5;1-8-9-10-21-12-13-23(18-21)30(6,7)28-26-17-20(2)11-15-24(26)25-16-14-22(19-27(25)28)29(3,4)5;1-2-3-10-20-15-16-21(19-20)27(17-8-9-18-27)26-24-13-6-4-11-22(24)23-12-5-7-14-25(23)26;1-4-5-6-11-19-16-17-20(18-19)26(2,3)25-23-14-9-7-12-21(23)22-13-8-10-15-24(22)25;1-4-5-10-18-15-16-19(17-18)25(2,3)24-22-13-8-6-11-20(22)21-12-7-9-14-23(21)24;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h10,16-19,21-23,26-31H,1,11-15,20H2,2-9H3;6,11,14-16,19,21,23,25-30H,1,7-10,12-13,17-18,20H2,2-5H3;8,11,14-17,19,21,23-28H,1,9-10,12-13,18H2,2-7H3;2,4-7,11-14,20-26H,1,3,8-10,15-19H2;4,7-10,12-15,19-25H,1,5-6,11,16-18H2,2-3H3;4,6-9,11-14,18-24H,1,5,10,15-17H2,2-3H3;12*1H3;12*1H;;;;;;/q;;;;;;12*-1;;;;;;;;;;;;;6*+4/p-12
• InChIKey: XKGLQLDPZUSPPD-UHFFFAOYSA-B
• XLogP: 62.41
• TPSA: 0.00 Ų
• Rotatable Bonds: 32
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3493.10
LogP ≤ 5	62.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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 9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;2,7-ditert-butyl-9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;hexakis(dichlorozirconium(2+));9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?

The IUPAC name of 9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;2,7-ditert-butyl-9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;hexakis(dichlorozirconium(2+));9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene (CID 162277076) is 9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;2,7-ditert-butyl-9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;hexakis(dichlorozirconium(2+));9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene.

What is the SMILES notation for 9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;2,7-ditert-butyl-9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;hexakis(dichlorozirconium(2+));9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?

The canonical SMILES for 9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;2,7-ditert-butyl-9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;hexakis(dichlorozirconium(2+));9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene is C=CCCC1CCC(C(C)(C)C2C3C=C(C)C=CC3C3C=CC(C(C)(C)C)=CC32)C1.C=CCCC1CCC(C(C)(C)C2C3C=CC=CC3C3C=CC=CC32)C1.C=CCCC1CCC(C2(C3C4C=C(C)C=CC4C4C=CC(C(C)(C)C)=CC43)CCCC2)C1.C=CCCC1CCC(C2(C3C4C=CC=CC4C4C=CC=CC43)CCCC2)C1.C=CCCCC1CCC(C(C)(C)C2C3C=C(C(C)(C)C)C=CC3C3C=CC(C(C)(C)C)=CC32)C1.C=CCCCC1CCC(C(C)(C)C2C3C=CC=CC3C3C=CC=CC32)C1.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 9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;2,7-ditert-butyl-9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;hexakis(dichlorozirconium(2+));9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?

The InChIKey is XKGLQLDPZUSPPD-UHFFFAOYSA-B. The full InChI is InChI=1S/C34H52.C32H46.C30H44.C27H36.C26H36.C25H34.12CH3.12ClH.6Zr/c1-10-11-12-13-23-14-15-26(20-23)34(8,9)31-29-21-24(32(2,3)4)16-18-27(29)28-19-17-25(22-30(28)31)33(5,6)7;1-6-7-10-23-12-13-25(20-23)32(17-8-9-18-32)30-28-19-22(2)11-15-26(28)27-16-14-24(21-29(27)30)31(3,4)5;1-8-9-10-21-12-13-23(18-21)30(6,7)28-26-17-20(2)11-15-24(26)25-16-14-22(19-27(25)28)29(3,4)5;1-2-3-10-20-15-16-21(19-20)27(17-8-9-18-27)26-24-13-6-4-11-22(24)23-12-5-7-14-25(23)26;1-4-5-6-11-19-16-17-20(18-19)26(2,3)25-23-14-9-7-12-21(23)22-13-8-10-15-24(22)25;1-4-5-10-18-15-16-19(17-18)25(2,3)24-22-13-8-6-11-20(22)21-12-7-9-14-23(21)24;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h10,16-19,21-23,26-31H,1,11-15,20H2,2-9H3;6,11,14-16,19,21,23,25-30H,1,7-10,12-13,17-18,20H2,2-5H3;8,11,14-17,19,21,23-28H,1,9-10,12-13,18H2,2-7H3;2,4-7,11-14,20-26H,1,3,8-10,15-19H2;4,7-10,12-15,19-25H,1,5-6,11,16-18H2,2-3H3;4,6-9,11-14,18-24H,1,5,10,15-17H2,2-3H3;12*1H3;12*1H;;;;;;/q;;;;;;12*-1;;;;;;;;;;;;;6*+4/p-12.

What are the key properties of 9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;2,7-ditert-butyl-9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;hexakis(dichlorozirconium(2+));9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?

9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;2,7-ditert-butyl-9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;hexakis(dichlorozirconium(2+));9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene has a molecular weight of 3493.10 g/mol, XLogP of 62.41, 32 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;2,7-ditert-butyl-9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;hexakis(dichlorozirconium(2+));9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene is sourced from PubChem (CID 162277076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).