12-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;zirconium(2+);dichloride

C29H24Cl2Zr — CID 173283866

About 12-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;zirconium(2+);dichloride

12-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;zirconium(2+);dichloride (PubChem CID 173283866) has the molecular formula C29H24Cl2Zr and a molecular weight of 534.64 g/mol. Its IUPAC name is 12-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;zirconium(2+);dichloride.

Molecular Properties

• Compound Name: 12-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;zirconium(2+);dichloride
• PubChem CID: 173283866
• Molecular Formula: C29H24Cl2Zr
• Molecular Weight: 534.64 g/mol
• Exact Mass: 532.03
• IUPAC Name: 12-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;zirconium(2+);dichloride
• SMILES: CC(C)(C1=CC=CC1)C1c2ccc3ccccc3c2-c2ccc3ccccc3c21.[Cl-].[Cl-].[Zr+2]
• InChI: InChI=1S/C29H24.2ClH.Zr/c1-29(2,21-11-5-6-12-21)28-25-18-16-19-9-3-7-13-22(19)26(25)24-17-15-20-10-4-8-14-23(20)27(24)28;;;/h3-11,13-18,28H,12H2,1-2H3;2*1H;/q;;;+2/p-2
• InChIKey: MNDSJHCMXNXHBK-UHFFFAOYSA-L
• XLogP: 2.02
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.64
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 12-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;zirconium(2+);dichloride?

The IUPAC name of 12-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;zirconium(2+);dichloride (CID 173283866) is 12-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;zirconium(2+);dichloride.

What is the SMILES notation for 12-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;zirconium(2+);dichloride?

The canonical SMILES for 12-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;zirconium(2+);dichloride is CC(C)(C1=CC=CC1)C1c2ccc3ccccc3c2-c2ccc3ccccc3c21.[Cl-].[Cl-].[Zr+2].

What is the InChIKey of 12-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;zirconium(2+);dichloride?

The InChIKey is MNDSJHCMXNXHBK-UHFFFAOYSA-L. The full InChI is InChI=1S/C29H24.2ClH.Zr/c1-29(2,21-11-5-6-12-21)28-25-18-16-19-9-3-7-13-22(19)26(25)24-17-15-20-10-4-8-14-23(20)27(24)28;;;/h3-11,13-18,28H,12H2,1-2H3;2*1H;/q;;;+2/p-2.

What are the key properties of 12-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;zirconium(2+);dichloride?

12-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;zirconium(2+);dichloride has a molecular weight of 534.64 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;zirconium(2+);dichloride is sourced from PubChem (CID 173283866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).