1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium;dichloride

C26H28Cl2Hf-2 — CID 173223314

IUPAC1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium;dichloride
SMILESC=CCCC(CCC)(C1=CC=CC1)c1cccc2c1Cc1ccccc1-2.[Cl-].[Cl-].[Hf]
InChIInChI=1S/C26H28.2ClH.Hf/c1-3-5-18-26(17-4-2,21-12-7-8-13-21)25-16-10-15-23-22-14-9-6-11-20(22)19-24(23)25;;;/h3,6-12,14-16H,1,4-5,13,17-19H2,2H3;2*1H;/p-2
InChIKeyOPBUHYXCTFFUDU-UHFFFAOYSA-L
MW589.91 g/mol
LogP1.15
Rot. Bonds7

About 1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium;dichloride

1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium;dichloride (PubChem CID 173223314) has the molecular formula C26H28Cl2Hf-2 and a molecular weight of 589.91 g/mol. Its IUPAC name is 1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium;dichloride.

Molecular Properties

Compound Name1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium;dichloride
PubChem CID173223314
Molecular FormulaC26H28Cl2Hf-2
Molecular Weight589.91 g/mol
Exact Mass590.10
IUPAC Name1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium;dichloride
SMILESC=CCCC(CCC)(C1=CC=CC1)c1cccc2c1Cc1ccccc1-2.[Cl-].[Cl-].[Hf]
InChIInChI=1S/C26H28.2ClH.Hf/c1-3-5-18-26(17-4-2,21-12-7-8-13-21)25-16-10-15-23-22-14-9-6-11-20(22)19-24(23)25;;;/h3,6-12,14-16H,1,4-5,13,17-19H2,2H3;2*1H;/p-2
InChIKeyOPBUHYXCTFFUDU-UHFFFAOYSA-L
XLogP1.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.91
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium;dichloride?
The IUPAC name of 1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium;dichloride (CID 173223314) is 1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium;dichloride.
What is the SMILES notation for 1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium;dichloride?
The canonical SMILES for 1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium;dichloride is C=CCCC(CCC)(C1=CC=CC1)c1cccc2c1Cc1ccccc1-2.[Cl-].[Cl-].[Hf].
What is the InChIKey of 1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium;dichloride?
The InChIKey is OPBUHYXCTFFUDU-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H28.2ClH.Hf/c1-3-5-18-26(17-4-2,21-12-7-8-13-21)25-16-10-15-23-22-14-9-6-11-20(22)19-24(23)25;;;/h3,6-12,14-16H,1,4-5,13,17-19H2,2H3;2*1H;/p-2.
What are the key properties of 1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium;dichloride?
1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium;dichloride has a molecular weight of 589.91 g/mol, XLogP of 1.15, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium;dichloride is sourced from PubChem (CID 173223314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).