9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-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;bis(dichlorozirconium(2+))

C63H98Cl4Zr2 — CID 162277082

About 9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-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;bis(dichlorozirconium(2+))

9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-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;bis(dichlorozirconium(2+)) (PubChem CID 162277082) has the molecular formula C63H98Cl4Zr2 and a molecular weight of 1179.74 g/mol. Its IUPAC name is 9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-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;bis(dichlorozirconium(2+)).

Molecular Properties

• Compound Name: 9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-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;bis(dichlorozirconium(2+))
• PubChem CID: 162277082
• Molecular Formula: C63H98Cl4Zr2
• Molecular Weight: 1179.74 g/mol
• Exact Mass: 1174.45
• IUPAC Name: 9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-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;bis(dichlorozirconium(2+))
• SMILES: C=CCCC1CCC(C(C)(C)C2C3C=CC=CC3C3C=CC=CC32)C1.C=CCCCC1CCC(C(C)(C)C2C3C=C(C(C)(C)C)C=CC3C3C=CC(C(C)(C)C)=CC32)C1.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-]
• InChI: InChI=1S/C34H52.C25H34.4CH3.4ClH.2Zr/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;1-4-5-10-18-15-16-19(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;4,6-9,11-14,18-24H,1,5,10,15-17H2,2-3H3;4*1H3;4*1H;;/q;;4*-1;;;;;2*+4/p-4
• InChIKey: WXXDKBBGOREOGC-UHFFFAOYSA-J
• XLogP: 21.26
• TPSA: 0.00 Ų
• Rotatable Bonds: 11
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1179.74
LogP ≤ 5	21.26
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-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-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;bis(dichlorozirconium(2+))?

The IUPAC name of 9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-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;bis(dichlorozirconium(2+)) (CID 162277082) is 9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-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;bis(dichlorozirconium(2+)).

What is the SMILES notation for 9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-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;bis(dichlorozirconium(2+))?

The canonical SMILES for 9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-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;bis(dichlorozirconium(2+)) is C=CCCC1CCC(C(C)(C)C2C3C=CC=CC3C3C=CC=CC32)C1.C=CCCCC1CCC(C(C)(C)C2C3C=C(C(C)(C)C)C=CC3C3C=CC(C(C)(C)C)=CC32)C1.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].

What is the InChIKey of 9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-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;bis(dichlorozirconium(2+))?

The InChIKey is WXXDKBBGOREOGC-UHFFFAOYSA-J. The full InChI is InChI=1S/C34H52.C25H34.4CH3.4ClH.2Zr/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;1-4-5-10-18-15-16-19(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;4,6-9,11-14,18-24H,1,5,10,15-17H2,2-3H3;4*1H3;4*1H;;/q;;4*-1;;;;;2*+4/p-4.

What are the key properties of 9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-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;bis(dichlorozirconium(2+))?

9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-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;bis(dichlorozirconium(2+)) has a molecular weight of 1179.74 g/mol, XLogP of 21.26, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-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;bis(dichlorozirconium(2+)) is sourced from PubChem (CID 162277082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).